Dr. Sudip Chakraborty
Reader in Physics
Harish-Chandra Research Institute (HRI) Allahabad
Chhatnag Road, Jhunsi, Prayagraj (Allahabad) 211 019 India
International Journals
1-Advanced Materials(IF:32.08); 1-Materials Today(IF:26.94); 1-Applied Catalysis B(IF:24.3); 3-ACS Energy Letters(IF:23.99); 3-Advanced Functional Materials(IF:19.92);1-Applied Physics Reviews(IF:19.51); 3-Nano Energy(IF:19.07); 3-ACS Nano(IF:18.03); 4-Angewandte Chemie(IF:16.82); 2-JACS(IF:16.38); 12-J. Mater. Chem.A(IF:14.51); 2-ACS Catalysis(IF:13.70); 2-PNAS (IF:12.78); 5-Chem.Mater(IF:10.51); 8-ACS Appl. Mater. Interfaces(IF:10.38); 1-Chemical Science(IF:9.97);1-Adv. Optical Mater(IF:9.93); 1-JPS(IF:9.79); 1-ACS Sensors(IF:9.62); 1-Solar RRL(IF:9.17); 2-ChemSusChem(IF:9.14); 2-Nanoscale(IF:8.31); 3-.J.Mat.Chem.C(IF:8.07); 2-Appl.Surf.Sci.(IF:7.39); 4-IJHE(IF:7.14); 8-ACS App.. Energy. Mater.(IF:6.96); 6-J.Phys.Chem.Lett(IF:6.89); 3-Sust.EnergyFuels(IF:6.81); 3-APL Materials(IF:6.63); 1-Catalysis Today(IF:6.56); 2-Cat.Sci.Tech.(IF:6.18); 1-ACS App. Nano Mater(IF:6.1);1-Chem.Comm.(IF:6.06);1-SolarEnergy(IF:5.72);1-NanoscaleAdv.(IF:5.59);4-Inorg.Chem.(IF:5.44);3-DaltonTrans.(IF:4.57);9-J.PhysChemC(IF:4.18)[Published=166; Citations>5700; h-index=42; Impact>1400]​
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2024
170. Spin Texture Evolution of Rashba Splitting under Pressure: A Case Study of Inorganic Nitride Perovskite, S. H. Mir, Sudip Chakraborty*--Under Review
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169. Unravelling Rashba effect through spin-texture evolution in uni-dimensional halide-perovskite under compression, J. Kaur, Sudip Chakraborty*-- Under Review.
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168. Three-fold Impact on Reaction Coordinate Mapping of Zirconium based Tri-chalcogenide Pseudo-monolayers as Emerging Bi-functional Ultrathin Catalysts,
Ponnappa K. P., Sudip Chakraborty* -- Under Review.
167. Emerging van der Waals Hetero-structures for Enhanced Photocatalytic Water Splitting Through Type-II Band Alignment, S. Tomar, Sudip Chakraborty* --
Under Review
166. Establishing the Correlation between Rashba Spin Splitting and HER Activity Enhancement in Janus Structures, Dhirendra Kumar, Sudip Chakraborty*, Journal
of Materials Chemistry A - Accepted (2024)
165. Colloidal Aziridinium Lead Bromide Quantum Dots, Maryna I. Bodnarchuk, L. Feld, C. Zhu, S.C. Boehme, F. Bertolotti, J. Avaro, M. Aebli, S.H.Mir, N. Masciocchi, R.
Erni, Sudip Chakraborty, A. Guagliardi, G. Raino, Maksym V. Kovalenko, ACS Nano, 18, 5684 (2024)
164. High-Performance One-Dimensional Halide Perovskite Crossbar Memristors and Synapses for Neuromorphic Computing, S.Vishwanath, B. Febriansyah, S. Ng,
Tisita Das, J. Acharya, R. John, D. Sharma, P. Danajaya, M. Jagadeeswararo, N. Tiwari, M. Kulkarni, W. Lew, Sudip Chakraborty*, A. Basu, N. Mathews,
Materials Horizon - Accepted (2024)
163. Improved Alcohol Oxidation through Combined Effects of Tensile Lattice Strain and Twin Defects in Core–Shell Electrocatalysts, T. Singha, S.
Tomar, Sudip Chakraborty, S. Das, B. Satpati, Small - Accepted (2024)
162. Incorporation of Bimetallic Sulfide with Carbon Nitride for Advanced Na-Ion Batteries, J. Lee, R. Bahadur, S. Mir, I. Bargoria, V. Perumalsamy, A. Ruban, X. Yu,
M. Breese, J. Yi, Sudip Chakraborty*, A. Vinu, Small, 35, 234587(2024).
161. Zero-dimensional Tin Halide Perovskite with Long Charge Carrier Lifetime and Anisotropic Photoconductivity for Selective Deep-UV Photodetection, A.
Ajayakumar, C. Muthu, Manasa G. B., A. Dev, R. Nshikubo, Sudip Chakraborty*, A. Saeki, L.Dou, V. Nair*, Advanced Functional Materials., 34, 2304899 (2024).
160. Ultra-Low Loaded Platinum Bonded Hexagonal Boron Nitride as Stable Electrocatalyst for Hydrogen Generations, R. Sadhukhan, A. Kumar, Ponnappa K. P.,
A. Guha, R. Arenal, Sudip Chakraborty, T.N. Narayanan, ACS Applied Materials & Interfaces , 16, 8627 (2024)
159. Catching an Oxo Vanadate Porous Acetylacetonate Covalent Adaptive Catalytic Network that Renders Mustard-Gas Simulant Harmless, N. Das, R. Paul,
S. Tomar, C. Biswas, Sudip Chakraborty,* J. Mondal*, Inorganic Chemistry - Accepted (2024)
158. Tuning Optoelectronic Properties of KBaTeBiO6 Double Perovskite through Cationic Interplay, Manasa G.B, Sudip Chakraborty*, ACS Applied Optical Materials,
2023
157. Augmenting Bi-functional Catalytic Efficiency in Vanadium based Pseudo-monolayer: Chemical Paradigm of Functionalization, Vacancy and External Stimuli,
Dhirendra Kumar, Sudip Chakraborty*, International Journal of Hydrogen Energy, 51, 323 (2023)
156. Pressure Driven Band Gap Narrowing in Rb2AgPdCl5: Towards Shockley–Queisser limit of Lead Free Double Perovskite, Showkat H. Mir, Sudip Chakraborty*,
Journal of Physical Chemistry C, 127, 19728 (2023).
155 Chalcogen Composition Driven Enhancement of Catalytic Efficiency in Zirconium based Monolayers: Insight from Reaction Coordinate Mapping, S. Tomar,
Sudip Chakraborty*, Sustainable Energy & Fuels, 7, 4668 (2023).
154. Pressure Driven Optical Transitions in Non-toxic Double Perovskite with a Columnar-ordered B-Site Cation: Piezochromism without Phase Transformation,
Showkat H. Mir, Sudip Chakraborty*, Journal of Physical Chemistry C, 127, 14805 (2023)
153. CsPbCl3→CsPbI3 Exchange in Perovskite Nanocrystals Proceeds Through a Jump-the-Gap Reaction Mechanism, N Livakas, S Toso, Y Ivanov, Tisita Das,
Sudip Chakraborty, G Divitini, Liberato Manna, JACS, 145, 20442 (2023)
152. A Universal Strategy of Perovskite Ink-Substrate Interaction to OvercomePoor Wettability of Self-Assembled Monolayer for Reproducible Perovskite Solar
Cells,A. Kulkarni, R.Sarkar, S.Akel,M.Haeser, B.Klingebiel,M.Wuttig,S.Weigand, Sudip Chakraborty*,M.Saliba*,T. Kirchartz*​, Adv. Func. Mater,2305812(2023)
151. Defects Tune the Strong Metal-Support Interactions in Copper Supported on Defected Titanium Dioxide Catalyst for CO2 Reduction, R. Belgamwar, R. Verma,
Tisita Das, Sudip Chakraborty, P. Sarawade, V. Polshettiwar, JACS, 145, 8634 (2023).
150. Self-powered NH3 synthesis by trifunctional Co2B based high power density Zn-air batteries, D. Gupta, A. Kafle, Prajna P. Mohanty, Tisita Das, Sudip
Chakraborty, R. Ahuja, T. Nagaiah, Journal of Materials Chemistry A, 11, 12223 (2023)
149. Combining π‑Conjugation and Cation−π Interaction for Water-2 Stable and Photoconductive One-Dimensional Hybrid Lead Bromide, T. Sheikh, G. Anilkumar,
Tisita Das, A. Rahman, Sudip Chakraborty*, Angshuman Nag*, Journal of Physical Chemistry Letters, 114, 1870 (2023).
148. S-doped C3N5 derived from thiadiazole for efficient photocatalytic hydrogen evolution, X. Guan, M. Fawaz, Ranjini Sarkar, C. Lin, Z. Li, Z. Lei, N.
Dharmarajan, P. Kumar, X. Zhang, J. Yang, L. Hu, T. Wu, Sudip Chakraborty, J. Yi, A. Vinu, Journal of Materials Chemistry A, 11, 12837 (2023).
147. Pt nanoparticles sensitized vertical aligned large area MoS2 flakes for enhanced and selective H2 sensing at room temperature, R. Wadhwa, A. Kumar, R.
Sarkar, P. P. Mohanty, D. Kumar, S. Deswal, P. Kumar, R. Ahuja, Sudip Chakraborty, M Kumar, ACS Applied Nano Materials, 6, 2527(2023).
146. Zinc Substituted Cobalt Phosphate [ZnCo2(PO4)2] as a Bifunctional Electrocatalyst, D. Singh, S. Singh, Ponnappa K. P., R. Rai, P. Chirawatkul, Sudip
Chakraborty, M. Fichtner, P. Barpanda, Inorganic Chemistry, 62, 12345 (2023).
145. Conformational Disorder in a Hybrid 2D Perovskite with a Long Aliphatic Chain under Pressure, Y Lekina, D Bradley, Y Xiao, A Thanetchaiyakup, X Zhao, J
Kaur, Sudip Chakraborty, H. S. Soo, J. Hanna, Shen, Ze Xiang, Journal of Physical Chemistry C, 127, 16496 (2023).
144. Efficient CO2 utilization and sustainable energy conversion via aqueous Zn-CO2 batteries, S. Kaur, M. Kumar, D. Gupta, Prajna P. Mohanty, Tisita Das, Sudip
Chakraborty, R. Ahuja, T. Nagaiah, Nano Energy, 109, 108242 (2023).
143. Unveiling and Understanding Remarkable Enhancement in Catalytic Activity by the Defect Creation in UIO-66 during the Catalytic Transfer
Hydrodeoxygenation of Vanillin with Isopropanol, A. Kar, R. Sarkar, A. Manal, R. Kumar, Sudip Chakraborty*, R. Ahuja, R. Srivastava*, Applied Catalysis B,
142. Vacancy Fused Multiple Layers of Copper Sulfoselenide Superstructures: A Propitious HER Electrocatalyst in Acid, S. Kumaravel, Dhirendra Kumar, S. Sankar,
A. Karmakar, R. Madhu, K. Bera, H. Dhandapani, S. Nagappan, Sudip Chakraborty*, S. Kundu*, Catalysis Science & Technology, 13, 694 (2023).
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2022
141. Complementary Effect of Functionalization, Vacancy Defects and Strain Engineering in activating the basal plane of monolayer FePS3 for HER, Tisita Das,
Sudip Chakraborty, P. Sen, Sustainable Energy & Fuels, 6, 5621 (2022).
140. Tuning Paradigm of External Stimuli Driven Electronic, Optical and Magnetic Properties in Hybrid Perovskites and Metal Organic Complexes, H. Banerjee,
J. Kaur, M. K. Nazeeruddin*, Sudip Chakraborty*, Materials Today, 60, 183 (2022).
139. Rationalization of Double Perovskite Oxides as Energy Materials: A Theoretical Insight from Electronic and Optical Properties, Manasa G. B., Sudip
Chakraborty*, ACS Materials Au, 2, 655 (2022) [Invited Perspective for Rising Stars in ACS Materials Au Special Issue]
138. Single Atom Functionalization in Vanadium Dichalcogenide Monolayers: Towards Enhanced Electrocatalytic Activity, Shalini Tomar, Prasenjit Sen, Sudip
Chakraborty*, Sustainable Energy & Fuels, 6, 5337 (2022).
137. Vanadium Dioxide-based Miniaturised Thermal Sensors: Humidity Effects on Phase Change and Sensitivity, P. Elango, S. Kabir, Ponnappa K. P., M. Low, M.
Yang, Sudip Chakraborty, S. Walia, S. Sriram, M. Bhaskaran, ACS Applied Electronic Materials, 4, 5456(2022).
136. Diffusion mediated morphological transformation in bifunctional Mn2O3/CuO-(VO)3(PO4)2.6H2O for enhanced electrochemical water splitting, S. Bhowmick,
Arijeet Sarangi, C. Moi, Sudip Chakraborty, M. Qureshi, ACS Applied Materials Interfaces, 14, 52204 (2022).
135. Assessing the Drawbacks and Benefits of Ion migration in Lead Halide Perovskites, K. Sakhatskyi, R. John, A. Guerrero, S. Tsarev, S. Sabisch, Tisita Das, G. Matt,
S.Yakunin, I.Cherniukh, M.Kotyrba, Y. Berezovska, M. Bodnarchuk, Sudip Chakraborty, J. Bisquert, Maksym Kovalenko, ACS Energy Letters, 7, 3401 (2022).
134. High yield selective electrochemical conversion of N2 to NH3 via morphology controlled silver phosphate under ambient conditions, D. Gupta, A. Kafle,
S. Kaur, Prajna P. Mohanty, Tisita Das, Sudip Chakraborty, R. Ahuja, T. Nagaiah, Journal of Materials Chemistry A, 10, 20616 (2022)
133. Nanocoral Architecture for Enhanced Hydrazine Assisted Water Oxidation: Insight from Experiment and Theory, N Sethulakshmi, S. Nellaiappan, Ponnappa
K.P., Tisita Das, S. Irusta,, Sudip Chakraborty*, S. Sharma*, Journal of Electroanalytical Chemistry, 922, 116776 (2022).
132. Morphology Tuned Pt3Ge Accelerates Water Dissociation to Industrial Standard Hydrogen Production over a wide pH Range, S. Mondal, S. Sarkar, D. Bagchi,
Tisita Das, R. Das, A. Singh, Ponnappa K.P., C. Vinod, Sudip Chakraborty, Sebastian Peter, Advanced Materials, 34, 2202294 (2022)
Parmar, Tisita Das, B. Ray, B. Debnath, S Gosavi, G. Shanker, S. Datar*, Sudip Chakraborty*, S. Ogale*, Advanced Energy & Sust. Res. 3, 2100137 (2022).
130. Facile Synthesis and Phase Stability of Cu-based Na2Cu(SO4)2.xH2O (x=0-2) Sulfate Minerals as Conversion type Battery Electrodes, S. Singh, A.
Neveu, K. Jayanthi, Tisita Das, Sudip Chakraborty, A. Navrotsky, V. Pralong, P. Barpanda, Dalton Transactions, 51, 11169 (2022)
129. Tuning the electronic structure of Ni vacancy enriched AuNi spherical nanoalloy via electrochemical etching for water oxidation study in alkaline and neutral
medium, A. Karmakar, Tisita Das, K. Karthick, S. Kumaravel, S. Sankar, R. Madhu, Sudip Chakraborty*, S. Kundu*, Inorganic Chemistry, 21, 8570 (2022).
128. Incorporating Au-11 Nanocluster on MoS2 Nanosheet Edges for Promoting Hydrogen Evolution Reaction at the Interface, S. Gratious, A. Karmakar, Dhirendra
Kumar, S. Kundu, Sudip Chakraborty, S. Mandal, Nanoscale, 14, 7919 (2022).
127. Theory abide experimental investigations on morphology driven enhancement of electrochemical energy storage performance for manganese titanate
perovskites electrodes, N. Kitchamsetti, M. Samtham, P. Didwal, Dhirendra Kumar, D. Singh, S. Bimli, P. Chikatea, D. Bashaa, S. Kumar, C. Park; Sudip
Chakraborty*; R. Devan*, Journal Power Sources, 538, 231525(2022).
126. Epitaxial growth of GaAs nanowires on synthetic mica by metal-organic chemical vapor deposition, A. Gopakumar, Ponnappa. K. P., X.Yuan, Z. Azimi, F.
Kremer, Chennupati Jagadish, Sudip Chakraborty*, Hark Tan*, ACS Applied Materials Interfaces, 14, 3395(2022).
125. Probing Photoexcited Charge CarrierTrapping and Defect Formation in Synergistic Doping of SrTiO3, N. Koshi, D. Murthy, Sudip Chakraborty, S. C. Lee,
S. Bhattacharjee, ACS Applied Energy Materials, 1, 1159(2022).
124. Tuning Spin Texture and Spectroscopic Limited Maximum Efficiency through Chemical Composition Space in Double Halide Perovskites, Jagjit
Kaur, SudipChakraborty*, ACS Applied Energy Materials, 5, 5579 (2022).
123. Progress and Challenges in Layered Two-dimensional Hybrid Perovskites, P. Mohanty, R. Ahuja, Sudip Chakraborty*, Nanotechnology, 33, 292501 (2022
122. Tuning Composition Space in Lead-Free Divalent and Tetravalent Halide Perovskites: A Critical Review, Arijeet Sarangi, Manasa G.B., Sudip Chakraborty*,
Emergent Materials, 5, 1021 (2022). [Invited Review Article].
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2021
121. Evolution of Hybrid Organic-Inorganic Perovskite Materials under External Pressure, Manasa G. B., M. K. Nazeeruddin*, Sudip Chakraborty*, Applied Physics Reviews, 8, 041409(2021) (Editor's Choice Featured Article)
120. The Status Quo of Rashba Phenomena in Hybrid Perovskite Materials, Sudip Chakraborty*, M. K. Nazeeruddin*, J. Phys. Chem. Letters, 12, 361 (2021).
119. Recent Advancements in Non-toxic Halide Perovskites: Beyond Divalent Composition Space, Dhirendra Kumar†, J. Kaur†, Prajna Parimita Mohanty, R. Ahuja*,
Sudip Chakraborty*, ACS Omega, 6, 33240(2021). [Invited Article - Perspective]. [†=equal contributing first author]
118. An Organic-Inorganic Perovskitoid with Zwitterion Cysteamine Linker and Its Crystal-Crystal Transformation to Ruddlesden-Popper Phase, P. Kour, M. Reddy,
S. Pal, S. Sidhik, Tisita Das, P. Pandey, S. Mukherjee*, Sudip Chakraborty*, Aditya D. Mohite*, S. B. Ogale, Angewandte Chemie, 60, 18750(2021).
117. Self-Assembled Organic Cations Assisted Band-Edge Tailoring in Bismuth based Perovskites for Enhanced Visible Light Absorption Photoconductivity, ​J. Pious,
Manasa G. B., C. Muthu, R. Nishikubo, A. Saeki, Sudip Chakraborty*, A. Takai, M. Takeuchi, C. Vijayakumar*, J. Phys. Chem. Letters, 12, 5758 (2021).
116. Concerted Ion-Migration and Diffusion Induced Degradation in Lead-Free Ag3BiI6 Rudorffite Solar Cells under Ambient Conditions, A. Kulkarni, F. Ünlü, N. Pant, J.
Kaur, C. Bohr, A. Jena, S. Öz, M. Yanagida,Y. Shirai,M. Ikegami,K. Miyano,Y. Tachibana, Sudip Chakraborty, S. Mathur, T. Miyasaka, Solar RRL, 5, 2100077
115. Halide Replacement with Complete Preservation of Crystal Lattice in Mixed-Anion Lanthanide Oxyhalides, M. Udayakantha, J. Handy, R. D Davidson,
J. Kaur, G. Villalpando, L. Zuin, Sudip Chakraborty, Sarbajit Banerjee, Angewandte Chemie, 60, 15582(2021).
114. Structure Tailored Non-Noble Metal based Ternary Chalcogenide Nanocrystals for Pt-like Electrocatalytic Hydrogen Production, S Sarkar, A Rawat, Tisita Das,
M Gaboardi, Sudip Chakraborty, C. Vinod, Sebastian Peter, ChemSusChem, 14, 3074(2021).
113. Local electrocatalytic activity of PtRu supported on nitrogen doped carbon nanotubes towards methanol oxidation by scanning electrochemical microscopy,
D. Gupta, Sudip Chakraborty, R. Amorim, R. Ahuja, T. Nagaih, Journal of Materials Chemistry A, 9, 21291 (2021).
112. Identifying the catalytically active sites on the layered tri-chalcogenide compounds CoPS3 and NiPS3 for efficient hydrogen evolution reaction, K. Alam, Tisita
Das, Sudip Chakraborty, P. Sen, PhysChemChemPhys, 23, 23967 (2021).
111. Probing active sites on MnPSe3 and FePSe3 tri-chalcogenides as a design strategy for better hydrogen evolution reaction catalyst, Tisita Das, K. Alam, Sudip
Chakraborty, P. Sen, International Journal of Hydrogen Energy, 46, 37928 (2021).
110. Recent Progress in Al-, K-, and Zn-Ion Batteries: Experimental and Theoretical Viewpoints, D. Pal, Sudip Chakraborty*, Sudeshna Chattopadhyay*, Energy
Technology, 2100382 (2021). [Invited Article - Review].
109. Probing defects and their implications in pH-controlled ZnO QDs: A theory aided experimental investigation, P. Mishra, M. Kumar, J. Kaur, A. Gaurav, D.
Sinha, Sudip Chakraborty, S. Sen, Journal of Materials Science, 32, 27084 (2021).
108. Lithium Silicates Nanosheets with Excellent Capture Capacity and Kinetics with Unprecedented Stability for High-Temperature CO2 Capture, R. Belgamwar,
A. Maity, Tisita Das, Sudip Chakraborty, C. P. Vinod, Vivek Polshettiwar, Chemical Science, 12, 4825(2021)
107. Unveiling the Roles of Lattice Strain and Descriptor Species on Pt-like Oxygen Reduction Activity in Pd-Bi catalyst, S Sarkar, S. Ramarao, Tisita Das, R. Das, C.
Vinod, Sudip Chakraborty, S Peter, ACS Catalysis, 11, 800 (2021)
106. Stable Deep Blue Emission with Unity Quantum Yield in Organic-Inorganic Halide Perovskite 2D Nanosheets Doped with Cerium and Terbium at High
Concentrations, S. Parveen, Ponnappa K. P., Sudip Chakraborty*, P. K. Giri*, Journal of Materials Chemistry C, 9, 2437(2021)
105. Organic-Inorganic Hybrid and Inorganic Halide Perovskites: Structural and Chemical Engineering, Interfaces and Optoelectronic Properties, S. Krishnamurthy†,
P. Pandey†, Jagjit Kaur†, Sudip Chakraborty*, P. Nayak*, A. Sadhanala*, S. B. Ogale*, J. Physics. D: Applied Physics,54, 133002 (2021) [Invited Topical Review].
104. Charge Transfer Driven Interaction of CH4, CO2 and NH3 with TiS2 monolayer: Influence of Vacancy Defect, Tisita Das, Sudip Chakraborty*, R. Ahuja*, Y.
Kawazoe, G. P. Das* - Catalysis Today, 370, 189(2021)
103. Formation of Corrugated n=1 2D Tin-Iodide Perovskites and their Use as Lead-Free Solar Absorber, B. Febriansyah, Y. Lekina, Jagjit Kaur, T. Hooper, P. Harikesh
T. Salim, M. Lim, T. Koh, Sudip Chakraborty*, Z. Shen*, N. Mathews*, J. England*, ACS Nano, 15, 6395(2021)
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2020
102. ns2 Electron (Bi3+ and Sb3+) Doping in Lead-Free Metal Halide Perovskite Derivatives, H Arfin†, A Kshirsagar†, Jagjit Kaur†, B Mondal, Z Xia, Sudip
Chakraborty* , Angshuman Nag*, Chemistry of Materials, 36, 10255 (2020). [†=equal contributing first author]
101. Emerging Piezochromism in Lead free Alkaline Earth Chalcogenide Perovskite AZrS3 (A = Mg, Ca, Sr and Ba) under Pressure, A. Majumdar, A. Adeleke,
Sudip Chakraborty*, R. Ahuja*, Journal of Materials Chemistry C, 8 , 16392 (2020). [Featured as HOT Paper]
100. Shaping a Doped Perovskite Oxide with Measured Grain Boundary Defects to Catalyze Bifunctional Oxygen Activation for Rechargeable Zn-air Battery,
R.Majee, Tisita Das, Sudip Chakraborty, S. Bhattacharyya, ACS Applied Materials & Interfaces, 12, 40355 (2020).
99. Anisotropic photoconductivity and long-lived charge carriers in Bismuth-based one-dimensional perovskite with Type-IIa Band Alignment, J. Pious,
Manasa G. B., C. Muthu, N. Krishna, R. Nishikubo, A. Saeki, Sudip Chakraborty*, V. C. Nair*, Journal of Physical Chemistry Letters, 11, 6757 (2020).
98. Reaction coordinate mapping of hydrogen evolution mechanism on Mg3N2 monolayer,A. Banerjee,Sudip Chakraborty,R. Ahuja,Int. J Hyd. Energy,45,22848 (2020)
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97. Lewis acid-base interactions between polysulfides and boehmite enables stable room-temperature sodium–sulfur batteries, A. Ghosh, A. Kumar, Tisita Das, A.
Ghosh, Sudip Chakraborty, M. Kar, D. R. MacFarlane, S. Mitra, Adv. Func. Mater., 2005669(2020).
96. Emerging Piezochromism in Transparent Lead free Perovskite Rb3X2I9 (X = Sb, Bi) under Compression: A Comparative Theoretical Insight, A. Majumdar,
Sudip Chakraborty*, R. Ahuja*, Journal of Applied Physics, 128, 045102 (2020). [Featured as Editor's Pick Article]
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95. Enhanced Electrocatalytic Activity in Geometrically Designed Epitaxial SrRuO3 Thin Films, A. Biswas, G. Shanker, Tisita Das, R. Mandal, Sudip Chakraborty*,
S. B. Ogale*, Applied Surface Science, 529, 147065 (2020).
94. Understanding the interplay of stability and efficiency in A-site engineered lead halide perovskites, F. Ünlü, E. Jung, J. Haddad, A. Kulkarni, S. Öz, H. Choi, T.
Fischer, Sudip Chakraborty, T. Kirchartz, S. Mathur, APL Materials, 8, 070901 (2020). [Invited Article - Perspective, Featured as Editor's Choice]
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93. Solid State Synthesis of Stable and Color Tunable Cesium Lead Halide Perovskite Nanocrystals and Mechanism of High-Performance Photodetection in
Monolayer MoS2/CsPbBr3 Vertical Heterojunction, J. Ghosh, L. Mawlong, Manasa G. B.; M. Hossain, A. Pattison, W. Theis, Sudip Chakraborty*, P. K. Giri*
Journal of Materials Chemistry C, 8, 8917 (2020).
92. High exothermic dissociation in van-der-Waals like hexagonal two dimensional nitrogene from first-principles molecular dynamics, A. Majumdar, X. Yang, W.
Luo, S. Chowdhury, Sudip Chakraborty, R. Ahuja, Applied Surface Science, 529, 146552 (2020)
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91. Bi3+ -Er3+ and Bi3+ -Yb3+ codoped Cs2AgInCl6 Double Perovskite Near Infrared Emitter, H. Arfin, Jagjit Kaur, T. Sheikh, Sudip Chakraborty*,Angshuman
Nag*, Angewandte Chemie, 59, 11307 (2020). (Featured as HOT Paper)
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90. Facets and Defects in Perovskite Nanocrystals for Photocatalytic CO2 Reduction, S. Shyamal, S. Dutta, Tisita Das, Sudip Chakraborty*, Narayan Pradhan*,
Journal of Physical Chemistry Letters, 11, 3608 (2020).
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89. Combinatorial design and computational screening of 2D transition metal tri-chalcogenide monolayers: Towards efficient catalysts for hydrogen evolution
reaction, Prasenjit Sen, K. Alam, Tisita Das, R. Banerjee, Sudip Chakraborty, Journal of Physical Chemistry Letters, 11, 3192 (2020).
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88. Tweaking Nickel with Minimal Silver in a Heterogeneous Alloy of Decahedral Geometry to Deliver Platinum-like Hydrogen Evolution, Activity, R. Majee, A.
Kumar, Tisita Das, Sudip Chakraborty, S. Bhattacharyya, Angewandte Chemie, 59, 2 (2020).
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2019
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87. Single Atomic Vacancy Catalysis, J. Yang, Y. Wang, M. Lagos, V. Manichev, R. Fullon, X. Song, D. Voiry, Sudip Chakraborty, W. Zhang, P. Batson, L. C.
Feldman, T. Gustafsson, Manish Chhowalla, ACS Nano, 13, 9958 (2019).
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86. Designing a new family of oxonium-cation based structurally diverse organic-inorganic hybrid iodoantimonate crystals, S. Parmar, S. Pal, S. Biswas, S. Gosavi,
Sudip Chakraborty*, M. Reddy, S. Ogale*, Chemical Communications, 55, 7562 (2019).
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85. Emergence of Si2BN monolayer as Efficient HER catalyst under co-functionalization influence, D. Singh, Sudip Chakraborty, R. Ahuja, ACS Applied Energy
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84. Rashba Triggered Electronic and Optical Properties Tuning in Mixed Cation-Mixed Halide Hybrid Perovskites, A. Banerjee, Sudip Chakraborty, R. Ahuja,
ACS Applied Energy Materials, 2, 6990 (2019).
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83. Defect Thermodynamics in Alluaudite-based Polyanionic Materials: A Theoretical Insight of Non-stoichiometry Influences, T. Watcharatharapong*, Sudip
Chakraborty*, R. Ahuja, ACS Applied Materials & Interfaces, 11, 32856 (2019).
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82. Functionalization and Defect Driven HER and OER Mechanism on Quasi Two-Dimensional TiO2 Hexagonal Nanosheet, Tisita Das, Sudip Chakraborty*, R.
Ahuja, G. P. Das*, ACS Applied Energy Materials, 2, 5074 (2019).
​
81. Mapping Sodium Intercalation Mechanism, Electrochemical Properties and Structural Evolution in Non-stoichiometric Alluaudite Cathode Materials,
Teeraphat Watcharatharapong*, Sudip Chakraborty*, R. Ahuja, Journal of Materials Chemistry A, 7, 17446 (2019).
80. Limiting Heterovalent B-site Doping in CsPbI3 Nanocrystals: The Phase and Optical Stability, S. Bera, D. Ghosh, A. Dutta, S. Bhattacharyya, Sudip
Chakraborty*, Narayan Pradhan*, ACS Energy Letters, 4, 1364 (2019).
​
79. Cesium Bismuth Iodide Solar Cells from Systematic Molar Ratio variation of CsI and BiI3, M. Johansson, B. Philippe, A. Banerjee, D. Phuyal, S. Mukherjee, Sudip
Chakraborty, M. Cameau, H. Zhu, R. Ahuja, G. Boschloo, H. Rensmo, E. Johansson Inorganic Chemistry, 58, 12040 (2019).
​
78. Cu-doped nickel oxide interface layer with nanoscale thickness for efficient and highly stable printable carbon-based perovskite solar cell, A. Bashir, L. Haur, S.
Shukla, D. Gupta, T. Baikie, Sudip Chakraborty, R. Patidar, A. Bruno, S. Mhaisalkar, Z. Akhter, Solar Energy, 182, 225(2019)
​
77. A zero-dimensional lead-free hybrid perovskite with a quantum-well structure, J. Pious, A. Katre, C. Muthu, Sudip Chakraborty, S. Krishna, Vijayakumar C.
Nair, Chemistry of Materials, 31, 1941 (2019).
​
76. Phase evolution in calcium molybdate nanoparticles as a function of synthesis temperature and its electrochemical effect on energy storage, M. Minakshi,
D. Mitchell, C. Baur, J. Chable, A. Barlow, M. Fichtner, A. Banerjee, Sudip Chakraborty, R. Ahuja, Nanoscale Advances, 1, 565 (2019) ]
​
75. TiS2 Monolayer Emerging as Ultrathin Bifunctional Catalyst: Influence of Defect and Functionalization, Tisita Das, Sudip Chakraborty*, R. Ahuja, G. P. Das*,
​
74. Composition Dependent Tuning of Electronic and Magnetic Properties in Transition Metal Substituted Rock-Salt MgO, K. Klaa, S. Labidi, A. Banerjee, Sudip
Chakraborty, M. Labidi, A. Amara, M. Bououdina, R. Ahuja, J. Magn. Magn. Mater, 475, 44 (2019).
​
73. Defect formations and pH-dependent kinetics in kröhnkite Na2Fe(SO4)2·2H2O based cathode for sodium-ion batteries: Resembling synthesis conditions
through chemical potential landscape,T. Watcharatharapong, J. Thieprasert, Sudip Chakraborty, R. Ahuja, Nano Energy,55, 123(2019)
​
2018
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72. In Pursuit of Bifunctional Catalytic Activity in PdS2 pseudo-monolayer through Reaction Coordinate Mapping, D. Saraf, Sudip Chakraborty*, A. Kshirsagar*,
R. Ahuja*, Nano Energy, 49, 283 (2018).
​
71. Mechanistic Insight of Enhanced Hydrogen Evolution Reaction Activity of Ultra-thin h-BN Modified Pt Electrodes, Anku Guha, T. Vineesh, A. Sekar,
S. Narayanaru, M. Sahoo, S. Nayak, Sudip Chakraborty*, T. N. Narayanan*, ACS Catalysis, 8, 6636 (2018).
​
70. Molecular and self-trapped excitonic contributions to the broadband luminescence in diamine based low dimensional hybrid perovskites systems, S.
Krishnamurthy, R. Naphade, W.Mir, S. Gosavi, Sudip Chakraborty*, R.Vaidhyanathan, S. B. Ogale*, Advanced Optical Materials, 17, 1800751 (2018).
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69. Scrupulous Probing of Bifunctional Catalytic Activity of Borophene Monolayer: Mapping Reaction Coordinate with Charge Transfer, A. Banerjee, Sudip
Chakraborty, N. Jena, R. Ahuja, ACS Applied Energy Materials, 1, 3571 (2018).
​
68. Simultaneous enhancement in charge separation and onset potential for water oxidation in BiVO4 photoanode by W-Ti codoping, X. Zhao, J. Hu, B. Wu,
A. Banerjee, Sudip Chakraborty*, J. Feng, Z. Xhao, S. Chen, R. Ahuja, T. C. Sum, Z. Chen*, Journal of Materials Chemistry A, 6, 16965 (2018).
​
67. Current Computational Trends in Polyanionic Cathode Materials for Li and Na batteries, Sudip Chakraborty*, A. Banerjee, Teeraphat Watcharatharapong,
R. Araujo, R. Ahuja, J. Phys.: Condens. Matter. 30, 283003 (2018) [Invited Article - Topical Review].
​
66. Maneuvering the Physical Properties and Spin States to Enhance the Activity of La-Sr-Co-Fe-O Perovskite Oxide Nanoparticles in Electrochemical Water
Oxidation, R. Majee, Sudip Chakraborty, H. Salunke, S. Bhattacharrya, ACS Applied Energy Materials, 1, 3342 (2018).
​
65. Defected and Functionalized Germanene based Nanosensors under Sulfur Comprising Gas Exposure, T. Hussain, T. Kaewmaraya, Sudip Chakraborty, H.
Vovusha, V. Amornkitbamrung, R. Ahuja, ACS Sensors, 3, 867 (2018).
​
64. Investigation on Organic Molecule Additive for Moisture Stability and Defect Passivation via Physisorption in CH3NH3PbI3 based Perovskite, S. Singh,
B. Sharma, S. Gangadhar, A. Dey, Sudip Chakraborty, K. Narashimhan, P. Bhargava, D. Kabra, ACS Applied Energy Materials 1, 1870(2018).
63. Synthesis and Optical Properties of Colloidal M3Bi2I9 (M = Cs, Rb) Perovskite Nanocrystals, J. Pal, A. Bhunia, Sudip Chakraborty, S. Manna, S. Das,
A. Diwan, S. Datta, Angshuman Nag, J. Phys. Chem. C, 122, 10643 (2018).
​
62. New Concept on Photocatalytic Degradation of Thiophene Derivatives: Experimental and DFT Studies, N. Djouambi, C. Bougheloum, A. Messalhi,
M. Bououdina, A. Banerjee, Sudip Chakraborty, R. Ahuja, J. Phys. Chem. C, 122, 15646 (2018).
​
61. Cystamine-configured lead halide based 2D hybrid molecular crystals: Synthesis and photoluminescence systematics, S. Krishnamurthy, P. Kour, A. Katre,
S. Gosavi, Sudip Chakraborty*, S. B. Ogale*, APL Materials, 6, 114204 (2018).
​
60. A combined theoretical and experimental approach of a new ternary metal oxide in molybdate composite for hybrid energy storage capacitors, M. Minakshi,
Teeraphat Watcharatharapong, Sudip Chakraborty, R. Ahuja, APL Materials, 6, 047701 (2018).
59. Saline Accelerates Oxime Reaction with Aldehyde and Keto Substrates at Physiological pH, S. Wang, G. Nawale, S, Kadekar, O. Oommen, N. Jena, Sudip
Chakraborty, J. Hilborn, O. P. Varghese, Sci. Rep., 8, 2193 (2018).
​
58. Theoretical Evidences Behind Bifunctional Catalytic Activity in Pristine and Functionalized Al2C monolayer, R. Almeida, A. Banerjee, Sudip Chakraborty*,
J. Almeida*, R. Ahuja, ChemPhysChem, 19, 148 (2018).
​
2017
​
57. Rational Design: A High-Throughput Computational Screening and Experimental Validation Methodology for Lead-free and Emergent Hybrid Perovskites,
Sudip Chakraborty*, W. Xie, N. Mathews, M. Sherburne, R. Ahuja, M. Asta, S. G. Mhaisalkar, ACS Energy Letters, 2, 837 (2017).
​
56. Mechanistic study of Na-ion diffusion and small polaron formation in Kröhnkite Na2Fe(SO4)2·2H2O based cathode materials, T. Watcharatharapong,
J. Thienprasert, P. Barpanda, R. Ahuja, Sudip Chakraborty*, Journal of Materials Chemistry A, 5, 21726 (2017).
​
55. Bromination Induced Stability Enhancement with Multivalley Optical Response Signature in Guanidinium [C(NH2)3]+ Based Hybrid Perovskite Solar Cells,
A. Banerjee, Sudip Chakraborty*, R. Ahuja, Journal of Materials Chemistry A, 5, 18561 (2017).
​
54. Evolution of hydrogen by few-layered black phosphorus under visible illumination, S.Muduli, V. Eswaraiah, X. You, S. Kulkarni, A. Katre, Sudip
Chakraborty, S. Chen, T. C. Sum, X. Rong, N. Mathews, Journal of Materials Chemistry A, 5, 24874 (2017).
​
53. Effect of transition metal cations on stability enhancement for molybdate based hybrid supercapacitor,T. Watcharatharapong, M. Minakshi, Sudip
Chakraborty*, D. Li, G. Shafiullah, R. Aughterson, R. Ahuja, ACS Applied Materials & Interfaces, 9, 17977 (2017).
​
52. A Comparative Study of Hydrogen Evolution Reaction on pseudo-monolayer WS2 and PtS2: insights based on the density functional theory, S. H. Mir, Sudip
Chakraborty*, J. Warna, S. Narayan, P. C. Jha, P. K. Jha, R. Ahuja, Catalysis Science & Technology 7, 687 (2017).
​
51. Valence Level Character in a Mixed Perovskite Material and Determination of the Valence Band Maximum from Photoelectron Spectroscopy: Variation with
Photon Energy, B. Philippe, T. Jacobsson, J-P. Correa-Baena, N. K. Jena, A. Banerjee, Sudip Chakraborty, U. Cappel, R. Ahuja, A. Hagfeldt, M. Odelius, Håkan
Rensmo, J. Phys. Chem. C, 121, 26655 (2017).
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50. Poor Photovoltaic Performance of Cs3Bi2I9: An Insight Through First Principles Calculations, B. Ghosh, Sudip Chakraborty, H. Wei, C. Guet, S. Li, Subodh
Mhaisalkar, N. Mathews, J. Phys. Chem. C, 121, 17062 (2017).
​
49. Na2.32Co1.84(SO4)3 as a New Member of Alluaudite Family of High-Voltage Sodium Battery Cathode, D. Dwibedi, R. Gond, A. Dayamani, R. Araujo,
Sudip Chakraborty, R. Ahuja, P. Barpanda, Dalton Transactions, 46, 55 (2017).
​
48. Improved Sensing Characteristics of Methane on ZnO Nano-Sheet upon Implanting Defects and Foreign Atoms Substitution, T. Hussain, T. Kaewmaraya, M.
Khan, Sudip Chakraborty*, M. S. Islam,V. Amornkitbamrung, R. Ahuja, Nanotechnology, 28, 415502 (2017).
​
47. Cluster assembly route to a novel octagonal two-dimensional ZnO monolayer, P. Gaikwad, P. Pujari, Sudip Chakraborty, A. Kshirsagar, J. Phys.: Condens.
​
46. Design and Control of Cooperativity in Spin-Crossover in Metal-organic Complexes: A Theoretical Overview, Hrishit Banerjee, Sudip Chakraborty, Tanusri
Saha-Dasgupta, Inorganics, 5, 47 (2017). [Invited Article - Review]
​
45. Role of relativity in high-pressure phase transitions of thallium, K. Kotmool, Sudip Chakraborty, T. Bovornratanaraks, R. Ahuja, Sci. Rep., 7, 42983 (2017).
​
​
2016
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44. Cationic Effect on Pressure driven Spin-State Transition and cooperativity in Hybrid Perovskites, Hrishit Banerjee, Sudip Chakraborty, Tanusri Saha-Dasgupta
Chemistry of Materials, 28, 8379 (2016).
​
43. High pressure induced distortion in Face-centered-cubic phase of Thallium, K. Kotmool, B. Li, Sudip Chakraborty, T. Bovornratanaraks, W. Luo, Ho-Kwang
Mao, R. Ahuja, PNAS, 113, 11143 (2016).
​
42. Predicting Electrochemical Properties and Ionic Diffusion in Na2+2xMn2-x(SO4)3: Crafting a Promising High Voltage Cathode Material, R. B. Araujo, M. S.
Islam, Sudip Chakraborty*, R. Ahuja, Journal of Materials Chemistry A, 4, 451 (2016) (Selected as a HOT Article).
​
41. Synthesis, structural and electrochemical properties of sodium nickel phosphate for energy storage devices, M. Minakshi, D. Mitchell, R. Jones, F. Alenazey, T.
Watcharatharapong, Sudip Chakraborty, R. Ahuja, Nanoscale, 8, 11291 (2016).
​
40. Ionothermal Synthesis of High-voltage Alluaudite Na2+2xFe2-x(SO4)3 Sodium Insertion Compound: Structural, Electronic and Magnetic Insight, D. Dwibedi,
C. Ling, R. Araujo, Sudip Chakraborty, S. Duraisamy, N. Munichandraiah, R. Ahuja, P. Barpanda, ACS Applied Materials & Interfaces, 8, 6982 (2016).
​
39. Rationalizing Hydrogen and Oxygen Evolution Reaction Activity of Two-dimensional Hydrogenated Silicene and Germanene, C. Rupp, Sudip Chakraborty*,
J. Anversa, R. Baierle, R. Ahuja, ACS Applied Materials & Interfaces, 8, 1536 (2016).
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38. Defect and Substitution Induced Silicene Sensor to Probe Toxic Gases, T. Hussain, T. Kaewamaraya, Sudip Chakraborty*, R. Ahuja, J. Phys. Chem. C 120,
​
37. Probing the Pseudo-1-D Ion Diffusion in Lithium Titanium Niobate Anode for Li-ion Battery, S. Das, D. Dutta, R. Araujo, Sudip Chakraborty, R. Ahuja, A. J.
Bhattacharyya, PhysChemChemPhys, 18, 22323 (2016).
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36. Na2M2(SO4)3 (M=Fe, Mn, Co and Ni): Towards High Voltage Sodium Battery Applications, R. Araujo, Sudip Chakraborty*, P. Barpanda, R.Ahuja,
PhysChemChemPhys, 18, 9658 (2016).
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35. Two-dimensional Boron: Lightest Catalyst for Hydrogen and Oxygen Evolution Reaction, S. Mir, Sudip Chakraborty*, P. K. Jha, J. Warna, H. Soni, P. Jha, R.
Ahuja, Applied Physics Letters, 109, 053903 (2016).
34. High pressure driven superconducting critical temperature tuning in Sb2Se3 topological insulator, J. Anversa, Sudip Chakraborty*, P. Piquini, R. Ahuja,
Applied Physics Letters, 108, 212601 (2016).
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33. Nanostructured materials for solid-state hydrogen storage: A review of the achievement of COST Action MP1103, E. Callini, K. A-Zinsou, R.
Ahuja, J. Ares, S. Bals, N. Biliskov, Sudip Chakraborty, et al. Int. J. Hydrogen Energy, 41, 14404 (2016). [Invited Article - Review]
32. Time Dependent DFT Investigation of Optical Response in Pristine and Gd Doped Al2O3, S. Kumavat, Sudip Chakraborty*, A. B. Rahane, M. D.
Deshpande, R. Ahuja, RSC Advances, 6, 72537 (2016).
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31. Rare earth functionalization effect in optical response of ZnO nano clusters, M. Mahabal, M. Deshpande, Sudip Chakraborty, T. W. Kang, R.
Ahuja, Eur. Phys. J D, 70, 1 (2016).
​
2015
​
30. Mapping Structural Changes in Electrode Materials: Application of the Hybrid eigenvector-following DFT Method to Layered Li0.5MnO2, Ieuan
Seymour, Sudip Chakraborty, Derek Middlemiss, David J. Wales, Clare P. Grey, Chemistry of Materials, 27, 5550 (2015).
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29. Defect Engineered g-C3N4 for Efficient Visible Light Photocatalytic Hydrogen Production, Q. Tay, P. Kanhere, C. Ng, S. Chen, Sudip Chakraborty
A. Huan, T. Sum, R. Ahuja, Z. Chen, Chemistry of Materials, 27, 4930 (2015).
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28. Na2.44Mn1.79(SO4)3: A new member of alluaudite family of insertion compound for sodium ion batteries, D. Dwibedi, R. Araujo, Sudip Chakraborty
P. Shanbogh, N. Sundaram, R. Ahuja, P. Barpanda, Journal of Materials Chemistry A, 3, 18564 (2015).
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27. Hydrogen storage materials for mobile and stationary applications: Current state of the art, Q. Lai, M. Paskevicius, D. Sheppard, C.E. Buckley, A.
Thornton, M. Hill, Q. Gu, J. Mao, Z. Huang, H. Liu, Z. Guo, A. Banerjee, Sudip Chakraborty, R. Ahuja, K.F. Aguey-Zinsou, ChemSusChem, 8,
2789 (2015). [Invited Article - Review].
​
26. Highly Sensitive and Selective Gas Detection Based on Silicene, J. Prasongkit, R. G. Amorim, Sudip Chakraborty, R. Ahuja, R. H. Scheicher, V.
Amornkitbamrung, J. Phys. Chem. C, 119, 16934 (2015).
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25. The effect of impurities in ultra-thin hydrogenated silicene and germanene: a first principles study, C. Rupp, Sudip Chakraborty, R. Ahuja, R.
Baierle, PhysChemChemPhys, 17, 22210 (2015).
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24. Unveiling the charge migration mechanism in Na2O2: Implications to sodium air batteries, Rafael B. Araujo, Sudip Chakraborty*, R. Ahuja,
PhysChemChemPhys (PCCP), 17, 8203 (2015).
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23. Synthesis, crystal and electronic structure of sodium metal phosphate for hybrid capacitor in non-aqueous electrolyte, M. Minakshi, T.
Watcharatharapong, Sudip Chakraborty, R. Ahuja, S. Duraisamy, P. Rao, N. Munichandraiah, Dalton Transactions, 44, 20108 (2015).
​
22. Improvement in Hydrogen Desorption from β and γ-MgH2 upon Transition Metal Doping, T. Hussain, T. A. Maark, Sudip Chakraborty, R.
Ahuja, ChemPhysChem, 16, 12, 2557 (2015) [VIP Article & Cover Profile].
​
21. Substitution induced band structure shape tuning in hybrid perovskites (CH3NH3Pb1-xSnxI3) for efficient solar cell applications, P. Kanhere,
Sudip Chakraborty*, C. Rupp, R. Ahuja, Z. Chen, RSC Advances, 5, 107497 (2015).
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20. The Effect of Morphology and Confinement on the High-Pressure Phase Transition in ZnO Nanostructure, K. Kotmool, T. Bovornratanaraks,
Sudip Chakraborty, R. Ahuja, Journal of Applied Physics, 117, 114309 (2015).
​
19. BC3 Sheet Functionalized with Lithium Rich Species Emerging as a Reversible Hydrogen Storage Material, T. Hussain, Sudip Chakraborty*, T.
W. Kang, B. Johansson, R. Ahuja, ChemPhysChem, 16, 634 (2015).
​
2014
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18. Revealing an unusual transparent phase of superhard Iron Tetraboride under high pressure, K. Kotmool, T. Kaewmaraya, Sudip Chakraborty, J.
Anversa, T. Bovornratanaraks, W. Luo, H. Gou, P. Piquini, T. Kang, Ho-Kwang Mao, R. Ahuja, PNAS, 111, 17050 (2014).
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17. Mono-and co-doped NaTaO3 for visible light photocatalysis, P. Kanhere, P. Shenai, Sudip Chakraborty, R. Ahuja, J. Zheng,
Z.Chen, PhysChemChemPhys (PCCP), 16, 30,16085 (2014).
​
16. A Possible Mechanism for the Emergence of Additional Band Gap due to Ti-O-C /Ti-C Bonds in TiO2 -Graphene Hybrid System for Enhanced
Photodegradation of Methylene Blue under Visible Light, S. Umrao, S. Abraham, F. Theil, S. Pandey, V. Ciobota, P. K. Shukla, C. J. Rupp, Sudip
Chakraborty, R. Ahuja, J. Popp, B. Dietzek, A. Srivastava, RSC Advances, 4, 59890 (2014).
15. Enhancement of energy storage capacity of Mg functionalized silicene and silicane under external strain, T. Hussain, Sudip Chakraborty, A. De
Sarkar, B. Johansson, R. Ahuja, Applied Physics Letters, 105, 123903 (2014).
14. Electronic density-of-states of amorphous vanadium pentoxide films: Electrochemical data and density functional theory calculations, I. Lykissa,
Shu-Yi Li, M. Ramzan, Sudip Chakraborty, R. Ahuja, Claes G. Granqvist, Gunnar A. Niklasson, Journal of Applied Physics, 115, 183701 (2014).
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​
2008-2013
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13. Functionalization of hydrogenated silicene with alkali and alkaline earth metals for efficient hydrogen storage, T. Hussain, T. Kaewmaraya,
Sudip Chakraborty*, R. Ahuja, PhysChemChemPhys (PCCP), 15, 43,18900 (2013).
​
12. Stabilizing a hexagonal Ru2C via Lifshitz transition under pressure, W. Sun, Sudip Chakraborty*, R. Ahuja, Applied Physics Letters, 103, 25,
​
11. Metal-Functionalized Silicene for Efficient Hydrogen Storage, T. Hussain, Sudip Chakraborty*, R. Ahuja, ChemPhysChem, 14, 3463(2013).
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10. Electronic and optical properties of agglomerated hydrogen terminated silicon nanoparticles, P. Francis, S. Patil, Ch. Rajesh, Sudip Chakraborty,
S. Mahamuni, C. V Dharmadhikari, S. V. Ghaisas, Eur. Phys. J D, 67, 144 (2013).
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9. Optical Properties Of Gallium Oxide Clusters From First-Principles Calculations, Amol B. Rahane, M. D. Deshpande, Sudip Chakraborty, J. Phys.
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8. Relative Localization Prediction in Covalent Clusters: an ab-initio Theory Driven Quest, Sudip Chakraborty*, S. V. Ghaisas, Adv. Sci. Lett., 18,
​
7. First principles based adsorption comparison of Group-IV elements (C, Si, Ge, Sn) on Au/Ag(111) surface, Sudip Chakraborty*, Ch. Rajesh,
J. Nanopart. Research, 14, 1187 (2012).
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6. An ab-initio study of silicon adsorption on metallic surfaces (Au/Ag): Novel perspective to explore chemical bonding, Sudip Chakraborty*, S.V.
Ghaisas, C. Majumder, Eur. Phys. J B, 85, 227 (2012).
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5. Structural and Optical Properties of Oxygenated Silicon Quantum Dots, Sudip Chakraborty*, Ch Rajesh, S. Mahamuni, S. V. Ghaisas, Adv. Sci.
​
4. Oxygen impact on Quantum Confinement Effect for silicon clusters in different size regimes: ab-initio investigations, Sudip Chakraborty *, Ch.
Rajesh, S. Mahamuni, S. V. Ghaisas, Eur. Phys. J D, 64, 331 (2011).
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3. Quantum Confinement effect in pristine and oxygen covered silicon nanocrystals with surface states, Sudip Chakraborty*, C. Rajesh, S. Mahamuni,
S. V. Ghaisas, J. Comp. Theo. Nanoscience, 8, 1739 (2011).
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2. Structure and Energetics of Silicon clusters adsorbed on Au(111) Surface:A first principles study, Sudip Chakraborty, S. V. Ghaisas, C. Majumder,
International Journal of Nanotechnology, 7, 833 (2010).
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1. Ab-initio Calculation for the Study of Nano Scale Silicon-based Structure, Sudip Chakraborty*, G. Shashidhar, S. V Ghaisas, V. Sundararajan,
Solid State Phenomena, 139, 113 (2008).
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Other International Publications/Proceedings
4 Study of Silicon-metal Interaction in Adsorption Process: An Ab-initio Approach, Sudip Chakraborty, S. V. Ghaisas, C. Majumder, oral contribution,
MRS Proceedings, Cambridge Journals Online, Volume 1305 (2011).
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3. Quantum Confinement effect in pristine and oxygen covered silicon nanocrystals with surface states Sudip Chakraborty, Ch Rajesh, S. Mahamuni,
S. V. Ghaisas, oral contribution, DPG Spring Meeting Proceedings, Regensburg, Germany, 2010.
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2. Adsorption of silicon cluster on silver and gold surfaces: A comparative study based on density functional theory, Sudip Chakraborty, S.V. Ghaisas,
and Chiranjib Majumder, oral contribution, MRS Fall Meeting Proceedings,Boston, USA, 2010.
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1. Oxygen passivation effect on absorption spectra for silicon nanocrystals, Sudip Chakraborty, S.V. Ghaisas, Ch. Rajesh, Shailaja Mahamuni, Oral
contribution, EMRS Spring Meeting, Strasbourg, France, 2010.
