International Journals

2-ACS Energy Letters(IF: 19.01); 1-Advanced Functional Materials (IF: 16.83); 2-Nano Energy(IF: 16.60); 1-ACS Nano(IF: 14.59);2-Angewandte Chemie(IF: 12.96); 1-ACS Catalysis(IF: 12.35); 7-Journal of Materials Chemistry A(IF: 11.31); 4-Chemistry of Materials(IF: 9.57); 2-PNAS(IF:9.41); 4-ACS Applied Materials & Interfaces(IF: 8.76); 1-Advanced Optical Materials(IF: 8.29); 1-ChemSusChem(IF: 7.96); 1-ACS Sensors(IF:7.33); 1-Journal of Materials Chemistry C(IF: 7.06); 1-Nanoscale(IF:6.89); 3-Journal of Physical ChemistryLetters(IF:6.71); 2-Applied Surface Science.(IF:6.18); 1-Chemical Communication(IF:6.0); 1-Catal.Sci.Tech. (IF: 5.72); 2-IJHE(IF: 4.94); 1-Inorganic Chemistry(IF: 4.82);6-ACS Applied Energy Materials (IF: 4.47); 6-JPC-C(IF:4.19); 2-Dalton Transactions(IF:4.17)[Published =99; Citations >2050; h-index =26; Impact >565]


105. Paradigm of Spin State Transitions underexternal stimuli in Metal-Organic complexes, H. Banerjee, M. K. Nazeeruddin*, Sudip Chakraborty* -


104. The Status Quo of Rashba-Dresselhaus Phenomena in Hybrid Perovskite Materials: Fundamentals and Implications, Sudip Chakraborty*, M. K.

        Nazeeruddin* - Communicated. 


103. 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  - Communicated.

102. Selective Formation of 3×3 Corrugated 2D Tin-Iodide Perovskites and Its Use as Lead-Free Solar Absorber, B. Febriansyah, Y. Lekina, Jagjit Kaur,

       T. Hooper, M. Lim, T. Koh, Y. Li, Z. Shen, S. G. Mhaisalkar, Sudip Chakraborty*, N. Mathews, J. England - Communicated.

101. Vacancy Driven Tuning of Methane and Ammonia Decomposition on H- and T-phase TiS2 monolayer, Tisita Das, Sudip Chakraborty*, R.

       Ahuja, G. P. Das - Communicated.

100. 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* - Communicated. (Invited Topical  


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.        

     Hydrogen Energy - Accepted (2020). 

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, Advanced Functional Materials - Accepted (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)

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). (Featured Perspective)

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). 

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)

90Facets 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).

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).

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).


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).

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).

85.  Emergence of Si2BN monolayer as Efficient HER catalyst under co-functionalization influence, D. Singh, Sudip Chakraborty*, R. Ahuja,

      ACS Applied Energy Materials, 2, 8441 (2019).

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). 

83. Defect Thermodynamics in Alluaudite-based Polyanionic Materials: A Theoretical Insight of Non-stoichiometry Influences, Teeraphat

     Watcharatharapong, Sudip Chakraborty*, R. Ahuja, ACS Applied Materials & Interfaces, 11, 32856 (2019).

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).

81Mapping Sodium Intercalation Mechanism, Electrochemical Properties and Structural Evolution in Non-stoichiometric Alluaudite Cathode

     Materials, T. 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, Sayan 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. AkhterSolar 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,

     V. 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). 

     (Most Popular Articles Collection of Nanoscale Advances)

75. TiS2 Monolayer Emerging as Ultrathin Bifunctional Catalyst: Influence of Defect and Functionalization, Tisita Das, Sudip Chakraborty*, R.

     Ahuja, G. P. Das, ChemPhysChem, 20, 608 (2019).

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)


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, A. 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.Ogale, Advanced Optical Materials, 17, 1800751 (2018).

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*, Amitava Banerjee, Teeraphat

      Watcharatharapong, Rafael Araujo, Rajeev Ahuja,  J. Phys.: Condens. Matter. 30, 283003 (2018) (Invited Topical Review).

66Maneuvering 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,          



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, Amitava Banerjee, Sudip Chakraborty, R. Ahuja, J. Phys. Chem. C, 122, 15646 (2018).

61Cystamine-configured lead halide based 2D hybrid molecular crystals: Synthesis and photoluminescence systematics, S. Krishnamurthy, P. Kour,          A. Katre, S. Gosavi, Sudip Chakraborty*, S. 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, T. 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).


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 EnergyB. 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).

50. Poor Photovoltaic Performance of Cs3Bi2I9: An Insight Through First Principles Calculations, B. Ghosh, Sudip Chakraborty, H. Wei, C. Guet, S. Li,

      S. G. 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. Matter., 29, 335501 (2017).

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 Review Article)

45. Role of relativity in high-pressure phase transitions of thallium, K. Kotmool, Sudip Chakraborty, T. Bovornratanaraks, R. Ahuja, 

     Sci. Rep., 7, 42983 (2017).


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).

38. Defect and Substitution Induced Silicene Sensor to Probe Toxic Gases, T. Hussain, T. Kaewamaraya, Sudip Chakraborty*, R. Ahuja, J. Phys.

     Chem. C 120, 25256 (2016).

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).

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).

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).

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 Review Article)


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).

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).


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).

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).

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).

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 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).

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).

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).

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).

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).


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).

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).


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,

    251901 (2013).

11. Metal-Functionalized Silicene for Efficient Hydrogen Storage, T. Hussain, Sudip Chakraborty*, R. Ahuja, ChemPhysChem, 14, 3463(2013).

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).

9. Optical Properties Of Gallium Oxide Clusters From First-Principles Calculations, Amol B. Rahane, M. D. Deshpande, Sudip ChakrabortyJ. Phys.

    Chem. A, 116, 10559 (2012).

8. Relative Localization Prediction in Covalent Clusters: an ab-initio Theory Driven Quest, Sudip Chakraborty*, S. V. Ghaisas, Adv. Sci. Lett., 18,

    208 (2012).

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).

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).

5. Structural and Optical Properties of Oxygenated Silicon Quantum Dots, Sudip Chakraborty*, Ch Rajesh, S. Mahamuni, S. V. Ghaisas, Adv. Sci.    

    Lett., 4, 3580 (2011).

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).

3. Quantum Confinement effect in pristine and oxygen covered silicon nanocrystals with surface states, Sudip Chakraborty*, Ch Rajesh, S.

   Mahamuni, S. V. Ghaisas, J. Comp. Theo. Nanoscience, 8, 1739 (2011).

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).

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).

                                                                Other International Publications/Proceedings

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).

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.

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.

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.

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