Publications

2025

110. Discovery of Binary and Ternary Colored Crystalline Phases in Atovaquone: From Stoichiomorphs to Solvates, Muhammed Shah KK, Somnath Dey, Anila M Menon, Ankita Kumari, Mrinal K Adak, Shashiprabha, Dibyajyoti Ghosh, Deepak Chopra, Crystal Growth & Design, 2025 (Journal Link)

109. Strategic Synergism in CO2 and Biomass Valorization to Sustainable Solar Fuels via Stable Hybrid Halide Perovskite: Unlocking Untapped Potential, Bhawna Rawat , Ankita Kumari , Manvi Sachdeva , Himanshu Bhatt , Dibyajyoti Ghosh , Hirendra N. Ghosh , Jagadeesh Rajenahally and Kamalakannan Kailasam, EES Catalysis, 2025 (Journal Link)

108. Hot Carrier Relaxation in Halide Double Perovskites: Insights from Ab Initio Models and Structure-Informed Machine Learning, Nikhil Singh and Dibyajyoti Ghosh*, Chemistry of Materials, 2025 (Journal Link)

107. Unveiling the Mechanisms of Photoluminescence Quantum Yield Surge in Cs2AgInCl6 Nanocrystals Triggered by ∼0.8% Bi3+ Doping, Rachna Singh, Ajeet Singh, Nikhil Singh, Shubham Kumar, Dibyajyoti Ghosh, Sameer Sapra*, J. Phys. Chem. C, 2025 (Journal Link)

106. Selective Catalytic Conversion of Nitrite to Ammonium by an Oxygen-Tolerant Molecular Cobalt Complex, Rajaneesh Kumar Verma, Ankita Kumari, Amit Kumar Bera, Avijit Das, Durgesh Pandey, Dibyajyoti Ghosh,* Sayantan Paria*, ACS Catalysis, 2025 (Journal Link)

105. Origin of enhancement of oxidation resistance of near β-Ti(Al) with addition of Ta: a combinatorial experimental and DFT analysis, Shivansh Mehrotra, Kushal Samanta, Dibyajyoti Ghosh, Surendra K Makineni, Sangeeta Santra, Materialia, 2025 (Journal Link)

104. Nonradiative Recombination of Excitons in Periodic Solids: A Case Study of Dion-Jacobson Lead-Halide Perovskite, Aaron Forde, Carlos Mora Perez, Nikhil Singh, Dibyajyoti Ghosh, Amanda J Neukirch, Sergei Tretiak, J. Phys. Chem. Lett. 2025 (Journal Link)

103. Interstitial Copper Doping in Cs3Bi2Br9: A Pathway to Enhanced Radiation Detection Performance, Naveen Kumar Tailor, Joydip Ghosh, Nikhil Singh, Pabitra Kumar Nayak, Joe Hall, Dibyajyoti Ghosh, Paul Sellin, Soumitra Satapathi, ACS Appl. Mater. Interfaces, 2025 (Journal Link)

102. Effect of β-stabilizer niobium on diffusional properties of the BCC β-Ti(Al) phase using a pseudo-binary diffusion couple technique, Shivansh Mehrotra, Nikhil Singh, Dibyajyoti Ghosh, Sangeeta Santra, Scripta Materialia, 2025 (Journal Link)

101. Tuning Hot Carrier Dynamics in Vacancy-Ordered Halide Perovskites through Lattice Compression: Insight from ab Initio Quantum Dynamics and Machine Learning, Bhawna, Nikhil Singh, Pabitra Kumar Nayak, Dibyajyoti Ghosh, ACS Materials Letters, 2025 (Journal Link)

100. Optimizing Excited Charge Dynamics in Layered Halide Perovskites through Compositional Engineering, Pabitra Kumar Nayak, Dibyajyoti Ghosh, Nano Letters, 2025 (Journal Link)

99. A Homochiral Neutral Organic Molecule as Active Ferroelectric for Memtransistor, Ranita Samanta, Rishukumar Panday, Anshuman Sahoo, Nikhil Singh, Kanha Ram Khator, Rajesh Sahoo, Vijay Bhan Sharma, Dinesh Kabra, Jan K. Zaręba, Dibyajyoti Ghosh, Satyaprasad P. Senanayak, Ramamoorthy Boomishankar, Advanced Functional Materials, 2025 (Journal Link)

98. Benign Mid-Gap Halide Vacancy States in 2D Bismuth-Based Halide Perovskite Microcrystals for Enhanced Broadband Photodetectors, Kuntal Singh, Mozakkar Hossain, Pabitra Kumar Nayak, SOUGATA KARMAKAR, Akash Tripathi, Prakash Sarkar, Pratyasha Rudra, A V Muhammed Ali, G. Krishnamurthy Grandhi, Paola Vivo, Swastik Mondal, K. V. Adarsh, Dibyajyoti Ghosh and K. D. M. Rao, Materials Horizons, 2025 (Journal Link)

97. Transition Metal-Based Perovskite Derivatives for Selective CO2 Photoreduction: Role of Orbital Occupancy, Shivani Choudhary, Naveen Kumar Tailor, Guguloth Venkanna, Nikhil Singh, Pabitra Kumar Nayak, Jagmeet Kaur, Diku Raj Deka, Sebastian C. Peter, Dibyajyoti Ghosh, Kamal Kishore Pant, Komal Tripathi, Soumitra Satapathi, Small, 2025 (Journal Link)

96. High-throughput and Data-Driven Search for Stable Optoelectronic AMSe3 Materials, Nikhil Singh,† Kushal Samanta,† Suneet K. Maharana, Koushik Pal, Sergei Tretiak, Anjana Talapatra  and  Dibyajyoti Ghosh, J. Mater. Chem. A, 2025 (Journal Link)

95. Breaking the Scaling Relationship for Oxygen Reduction Reaction Using Molecular Cobalt Complexes, Avijit Das, Aakash Santra, Ankita Kumari, Dibyajyoti Ghosh, Sayantan Paria, JACS (J. Am. Chem. Soc.),2025 (Journal Link)

94. Silver-Purine MOFs for High-Performance Multi-Terminal Neuromorphic Memory,Subhra Jyoti Panda, Kanha Ram Khator, Priyanka Deswal, Shashwat Nayak, Durgesh Pandey, Suraj K Patel, Suraj Agarwala, Dibyajyoti Ghosh, Satyaprasad P Senanayak, Chandra Shekhar Purohit, Materials Horizons, 2025. (Journal Link)

2024

93. Oxygen-Linked Polymeric Heptazine for Selective C–C Cleavage in Synergism with Solar Fuel Generation: Unlocking the Full Potential, Bhawna Rawat, Venugopala Rao Battula, Ankita Kumari, Dibyajyoti Ghosh, Kamalakannan Kailasam, ACS Sustainable Chemistry & Engineering, 2o24. (Journal Link)

92. Molecular engineering of donor–acceptor heptazine-based porous organic polymers for selective photoreduction of CO 2 to CO under non-sacrificial conditions in water, Amit Kumar, Pravesh Kumar, Durgesh Pandey, Neha Saini, Kirti Dhingra, Dibyajyoti Ghosh, Kamalakannan Kailasam, Journal of Materials Chemistry A, 2024. (Journal Link)

91. Imaging of intracellular protein aggregates through plasmon-assisted clusteroluminescence, Ashish Kumar Dhillon, Pranay Eknath Dudhe, Shubhangi Majumdar, Sanmitra Barman, Dibyajyoti Ghosh, Karthigeyan Dhanasekaran, Soumik Siddhanta, Nanoscale, 2024. (Journal Link)

90. Tracking the active phase and reaction pathway of the OER mediated by an MnMoO4 microrod electro(pre)-catalyst, Anubha Rajput, Ankita Kumari, Hirak Kumar Basak, Dibyajyoti Ghosh, Biswarup Chakraborty, Journal of Materials Chemistry A, 2024. (Journal Link)

89. Efficiently Designed Three-Dimensional Architecture of CoMn2O4 Decorated V2CTx MXene for Asymmetric Supercapacitors, J. Vigneshwaran, Arunkumar Sakthivel, Ankita Kumari, R. L. Narayan, V Chakkravarthy,Dibyajyoti Ghosh, Sujin P Jose, ACS Applied Materials Interfaces,2024. (Journal Link)

88. Fast Carrier Recombination, Nanoconfinement, and Defects Boost Solar-Driven Hydrogen Evolution Reactions at Z-Scheme Heterojunctions, Ankita Kumari, Dibyajyoti Ghosh, ACS Applied Energy Materials, 2024. (Journal Link)

87. Bi Off-Centering in Centrosymmetric BiOBr Leading to Ultrahigh Bifunctional Piezocatalytic Fuel Generation Efficiencies in Seawater, Maqsuma Banoo, Kushal Samanta, Arjun Kumar Sah, Raj Sekhar Roy, Monika Bhakar, Dirtha Sanyal, Digamber G. Porob, Konstantin Glazyrin, Dinesh Topwal, Goutam Sheet, Dibyajyoti Ghosh, Ujjal K. Gautam, Advanced Functional Materials,2024. (Journal Link)

87. Ligand Controls Excited Charge Carrier Dynamics in Metal-Rich CdSe Quantum Dots: Computational Insights, Kushal Samanta, Priyanka Deswal, Shayeeque Alam, Manav Bhati, Sergei A. Ivanov, Sergei Tretiak, Dibyajyoti Ghosh, ACS Nano,2024. (Journal Link)

86. Data-Driven Design of Electroactive Spacer Molecules to Tune Charge Carrier Dynamics in Layered Halide Perovskite Heterostructures, Monal Bhatt#, Pabitra Kumar Nayak#, Dibyajyoti Ghosh, ACS Nano,2024. (Journal Link )

85. Effects of Lattice Compression on Halogen Ion Diffusion Dynamics in Mixed Halide Perovskites, Gourab Sarkar, Dibyajyoti Ghosh, ACS Applied Energy Materials,2024. (Journal Link )

84. Exploring the Feasibility of Copper Incorporation in Halide Perovskites: Impact on CO2 Photoreduction Performance, Naveen Kumar Tailor, Shreya Singh, Nikhil Singh, Pabitra Kumar Nayak, Saurabh K. Saini, Srimanta Das, Guguloth Venkanna, Satyaprasad P Senanayak, Mahesh Kumar, Dibyajyoti Ghosh, Komal Tripathi, Kamal Kishore Pant, Soumitra Satapathi, Advanced Energy Materials,2024. (Journal Link) 

83. Structural and Electronic Factors behind the Electrochemical Stability of 3D-Metal Tungstates under Oxygen Evolution Reaction Conditions, Anubha Rajput, Pabitra Kumar Nayak, Dibyajyoti Ghosh, and Biswarup Chakraborty, ACS Appl. Mater. Interfaces, 2024, (Journal Link)

81. Atomistic Insights on Facet-Dependent Functional Properties in CdSe Nanocrystals, Kushal Samanta, Priyanka Deswal and Dibyajyoti Ghosh*, Chemistry of Materials,2024, (Journal Link) 

80. SnO2–MWCNT and SnO2–rGO Nanocomposites for Selective Electrochemical Detection in a Mixture of Heavy Metal Ions, Mohit Verma, Ankita Kumari, Gaurav Bahuguna*, Vikas Singh, Vishakha Pareek, Anandita Dhamija, Shubhendra Shukla, Dibyajyoti Ghosh*, and Ritu Gupta*, ACS Appl. Nano Mater. 2024 ( Journal Link )

79. Quest for a Desolvated Structure Unveils Breathing Phenomena in a MOF Leading to Greener Catalysis in a Solventless Setup: Insights from Combined Experimental and Computational Studies, Sarita Kumari, Anand Yadav, Ankita Kumari, Somanath Mahapatra, Devender Kumar, Jyoti Sharma, Preety Yadav, Dibyajyoti Ghosh, Anindita Chakraborty*, and Prakash Kanoo*, Inorg. Chem. 2024,(Journal Link) 

78. A-Cation-Dependent Excited State Charge Carrier Dynamics in Vacancy-Ordered Halide Perovskites: Insights from Computational and Machine Learning Models,Pabitra Kumar Nayak,Carlos Mora Perez, Dongyu Liu, Oleg V. Prezhdo, and Dibyajyoti Ghosh*, Chemistry of Materials,2024,(Journal Link) 

77. Chalcogen alloying mediated electronic structure modulation in ultrathin Nb(SxSe(1−x))2 nanosheets for the hydrogen evolution reaction, Varsha Jha, Md Samim Hassan, Ankita Verma, Shubham Kumar, Sahil Singh, Jyoti Yadav, Dibyajyoti Ghosh*, Sameer Sapra, Journal of Materials Chemistry A, 2024, (Journal Link)

76. Ion Diffusion Dynamics and Halogen Mixing at the Heterojunction of Halide Perovskites: Atomistic Insights, Gourab Sarkar, Priyanka Deswal, Dibyajyoti Ghosh*, The Journal of Physical Chemistry C 2024, 128, 4, 1762–1772 (Journal Link)

75. Ionization of Hole-Transporting Materials as a Method for Improving the Photovoltaic Performance of Perovskite Solar Cells, Yogesh S Tingare, Chien-Hsiang Lin, Chaochin Su, Sheng-Chin Chou, Ya-Chun Hsu, Dibyajyoti Ghosh, Ning-Wei Lai, Xin-Rui Lew, Sergei Tretiak, Hsinhan Tsai, Wanyi Nie, Wen-Ren Li, Journal of Materials Chemistry A, 2024, (Journal Link)

74.  Electronic Modulation of Iridium Single Atomic Site in NiCr Layered Double Hydroxide for Improved Electrocatalytic Oxygen Evolution Reaction, Swayamprakash Biswal, Divya Divya, Biswajit Mishra, Darius Pohl, Bernd Rellinghaus, Dibyajyoti Ghosh, Bijay P Tripathi, Journal of Materials Chemistry A, 2024, (Journal Link)

73. Substitution of Lead with Tin Suppresses Ionic Transport in Halide Perovskite Optoelectronics, Krishanu Dey, Dibyajyoti Ghosh, Matthew Pilot, Samuel Pering, Bart Roose, Priyanka Deswal, Satyaprasad Senanayak, Petra Jane Cameron, Saiful Islam and Samuel D Stranks, Energy Environ. Sci., 2024 (Journal Link)

72. Porous SnO2 nanosheets for room temperature ammonia sensing in extreme humidity, Mohit Verma, Gaurav Bahuguna, Sukhwinder Singh, Ankita Kumari, Dibyajyoti Ghosh, Hossam Haick, Ritu Gupta, Materials Horizon, 2024 (Journal Link) 

2023

71. Charged Hole-Transporting Materials Based on Imidazolium for Defect Passivation in Inverted Perovskite Solar Cells, Yogesh S. Tingare, Meng-Che Li, Sheng-Hung Teng, Ja-Hon Lin, Chaochin Su, Shan-Jung Lin, Xin-Rui Lew, Hsinhan Tsai, Dibyajyoti Ghosh, Wanyi Nie, Bao-Lin Yeh, Wen-Ren Li, Solar RRL 8 (3), 2300817. (Journal Link) 

70. Composition Dependent Strain Engineering of Lead-Free Halide Double Perovskite: Computational Insights, Sarika Singh, Pabitra Kumar Nayak, Dibyajyoti Ghosh, J. Phys. Chem. Lett., 2023, 14, 9479-9489. (Journal Link)

69. The Impact of Spatially Heterogeneous Chemical Doping on the Electronic Properties of CdSe Quantum Dots: Insights from ab initio Computation, Priyanka Deswal, Kushal Samanta, Dibyajyoti Ghosh, Nanoscale, 2023.(Journal Link)

68. Favoring Product Desorption by a Tailored Electronic Environment of Oxygen Vacancies in SrTiO3 via Cr Doping for Enhanced and Selective Electrocatalytic CO2 to CO Conversion, Paras Kalra, Dibyajyoti Ghosh, Pravin P Ingole, ACS Applied Materials and Interfaces, 2023, 15, 30187 (Journal Link)

67. Understanding the Effect of Internal Electrostatic Fields Created by Alkaline Earth Metal Ions Poised over Secondary Coordination Sphere of Molecular Iron Complexes, Inorganic Chemistry 2023, 62, 25, 9818  (Journal Link) 

66. Thiophene-Based Polyelectrolyte Boosts High-Performance Quasi-2D Perovskite Solar Cells with Ultralow Energy Loss, Hsin-Hsiang Huang, Tso-An Yang, Li-Yun Su, Chiung-Han Chen, Yu-Ting Chen, Dibyajyoti Ghosh, King-Fu Lin, Sergei Tretiak, Chu-Chen Chueh, Wanyi Nie, Hsinhan Tsai, Leeyih Wang, ACS Materials Letters, 2023, 5, 1384  (Journal Link) 

65. How structural and vibrational features affect optoelectronic properties of non-stoichiometric quantum dots: computational insights, M Bhati, SA Ivanov, TP Senftle, S Tretiak, D Ghosh, Nanoscale, 2023, 15, 7176-7185  (Journal Link)

64. Hot carrier relaxation dynamics in non-stoichiometric CdSe quantum dots: computational insights, S Gumber, O Eniodunmo, S A Ivanov, S Kilina, O V Prezhdo, D Ghosh, S Tretiak, J Mater Chem A, 2023, 11, 8256-8264 (Journal Link)

63. Defect Passivation Results in the Stability of Cesium Lead Halide Perovskite Nanocrystals. S Khurana, MS Hassan, P Yadav, TD Chonamada, MR Das, PK Santra, D Ghosh, S Sapra. The Journal of Physical Chemistry C, 2023 (Journal Link)

62. Charge Transport in Mixed Metal Halide Perovskite Semiconductor. SP Senanayak, K Dey, R Shivanna, W Li, D Ghosh, Y Zhang, B Roose, SJ Zelewski, Z Andaji-Garmaroudi, W Wood, N Tiwale, J McManus-Driscoll, RH Friend, SD Stranks, H Sirringhaus. Nature Materials, 2023, 22, 216–224  (Journal Link)

61. Hot Carrier Relaxation Dynamics in Non-Stochiometric CdSe Quantum Dots: Computational Insights. S Gumber, O Eniodunmo, SA Ivanov, S Kilina, OV Prezhdo, D Ghosh, S Tretiak. Journal of Materials Chemistry A, 2023 (Journal Link)

60.  Tuning Charge Carrier Dynamics Through Spacer Cation Functionalization in Layered Halide Perovskites: An Ab Initio Quantum Dynamic Study. PK Nayak, D Ghosh*, Journal of Materials Chemistry C, 2023, 11, 3521-3532 (Journal Link) Selected as HOT Article

59. HFIP-Assisted Reductive C–S, C−N, and C−X Coupling of Carbonyl Compounds: A Combined Computational and Experimental Mechanistic Study. J Khan, A Tyagi, D Ghosh*, C K Hazra, Organic Chemistry Frontiers, 2023, Just Accepted (Journal Link)

58. Light-Induced Structural Dynamics and Charge Transport in Layered Halide Perovskite Thin Films H Tsai, D Ghosh, E Kinigstein, B Dryzhakov, H Driscoll, M Owczarek, B Hu, X Zhang, S Tretiak, W Nie, Nano Letters, 2023, 23, 429–436 (Journal Link)

57. 3D Nanographene Precursor Suppress Interfacial Recombination in PEDOT: PSS-based Perovskite Solar Cells, C Hanmandlu, R Paste, H Tsai, S NS Yadav, K  W Lai, Y Y Wang, C S Gantepogu, C H Hou, J J Shyue, Y J Lu, T S Jadhav, J M Liao, H H Chou, H Q Wong, T J Yen, C S Lai, D Ghosh, S Tretiak, H J Yen, C W Chu Nano Energy, 2023,  108136  (Journal Link)

2022

56, Ring Expansion of Isatins via 1,2-Phospha-Brook Rearrangement: A Route to the Synthesis of 2-Quinolinone-Derived p-Quinone Methides A Ali, HK Harit, M Devi, D Ghosh, RP Singh. The Journal of Organic Chemistry, 2022, 87, 16313  (Journal Link)

55.  Robust Hierarchical Three-dimensional Nickel Cobalt Tungstate-MXene nanocomposite for High-performance Symmetric Coin Cell Supercapacitors, J S P Vigneshwaran, R L Narayan, D Ghosh, V Chakravarthy, Journal of Energy Storage 2022, 56, 106102 (Journal Link)

54. Role of Fe–O–M Bond in Controlling the Electroactive Species Generation from the FeMO4 (M: Mo and W) Electro(pre)catalyst during OER, MK Adak, A Rajput, D Ghosh*, B Chakraborty*,  ACS Applied Energy Materials,   2022, 5, 13645  (Journal Link) 

53. Magneto-Structural Studies of Manganese (II) 2, 4′-Benzophenone Dicarboxylate Based Coordination Polymers, B Singh, NA Chernova, D Ghosh, A Ramanan, Cryst. Growth Des. 2022,  22, 7090  (Journal Link) 

52. Addressing the Voltage Induced Instability Problem of Perovskite Semiconductor Detectors, H Tsai, D Ghosh, W Panaccione, LY Su, CH Hou, L Wang, LR Cao,   S. Tretiak, W. Nie, ACS Energy Letters, 2022, 7, 3871 (Journal Link)

51. Impact of Composition Engineering on Charge Carrier Cooling in Hybrid Perovskites: Computational Insights, D. Ghosh*, C. M. Perez, O. Prezhdo, W. Nie, S. Tretiak, and A. J. Neukirch, Journal of Materials Chemistry C 2022, 10, 9563 (Journal Link)

50. Finely dispersed AgPd bimetallic nanoparticles on a polydopamine modified metal organic framework for diverse catalytic applications, B Mishra, D Ghosh, BP Tripathi, Journal of Catalysis, 2022  (Journal Link)

49. Impact of Bifunctional Ligands on Charge Transfer Kinetics in CsPbBr3–CdSe/CdS/ZnS Nanohybrids, S Khurana, MS Hassan, P Yadav, D Ghosh*, S Sapra, The Journal of Physical Chemistry Letters, 2022, 13, 2591 (Journal Link)

48. MoSe2/SnS Nanoheterostructures for Water Splitting, A Singh, J Rohilla, MS Hassan, PP Ingole, PK Santra, D Ghosh*, S Sapra, ACS Applied Nano Materials 2022, 5, 4293  (Journal Link)  

47. Long carrier diffusion length in two-dimensional lead halide perovskite single crystals, S Shrestha, X Li, H Tsai, CH Hou, HH Huang, D Ghosh, J J Shyue, L Wang, S Tretiak, X Ma, W Nie, Chem, 2022 (Journal Link)

46. Induced Chirality in Halide Perovskite Clusters through Surface Chemistry, A Forde, D Ghosh, D Kilin, AC Evans, S Tretiak, AJ Neukirch, Journal of Physical Chemistry Letters, 2022, 13, 686 (Journal Link)

45. Nature of electronic excitations in small non-stoichiometric quantum dots M Bhati, SA Ivanov, TP Senftle, S. Tretiak, D. Ghosh* Journal of Materials Chemistry A, 2022, Advance Article (Journal Link)

2020

36. Deducing transport properties of mobile vacancies from perovskite solar cell characteristics, JM Cave,  NE Courtier, IA Blakborn, TW Jones, D Ghosh, KF Anderson et al. Journal of Applied Physics 2020, 128, 184501 (Journal Link)

35. Highly Tunable Single-Phase Excitons in Mixed Halide Layered Perovskites M Rahil, P Rajput, D Ghosh, S Ahmad, ACS Applied Electronic Materials 2020, 2, 3199 (Journal Link)

34. Hot Carrier Cooling and Recombination Dynamics of Chlorine-Doped Hybrid Perovskite Single Crystals, LT Mix, D Ghosh, J Tisdale, MC Lee, KR O’Neal, N Sirica, AJ Neukirch et al. The Journal of  Physical Chemistry Letters, 2020, 11, 8430 (Journal Link)

33. Role of the Metal–Semiconductor Interface in Halide Perovskite Devices for Radiation Photon Counting, S Shrestha, H Tsai, M Yoho, D Ghosh, F Liu, Y Lei, J Tisdale, J Baldwin et al.  ACS Applied Materials and Interfaces 2020, 12, 45533 (Journal Link)

32. Charge Carrier Dynamics in Two-Dimensional Hybrid Perovskites: Dion-Jacobson vs. Ruddlesden-  Popper Phases, D Ghosh*, D Acharya, L Pedesseau, C Katan, J Even, S Tretiak et al. Journal of Materials Chemistry A, 2020, 8, 22009  (Journal Link)

31. Polarons in halide perovskites: a perspective, D Ghosh*, E Welch, AJ Neukirch, A Zakhidov, S Tretiak, The Journal of Physical Chemistry Letters 2020, 11, 3271 (Journal Link)

30. Optoelectronic properties of two-dimensional bromide perovskites: Influences of spacer cations, D Ghosh*, AJ Neukirch, S Tretiak, The journal of physical chemistry letters, 2020, 11, 2955 (Journal Link)

29. Correlation of Spatiotemporal Dynamics of Polarization and Charge Transport in Blended Hybrid Organic-Inorganic Perovskites on Macro-and Nanoscales, L Collins, ES Muckley, H Tsai, D Ghosh, AJ Neukirch, S Tretiak, et al., ACS applied materials and interfaces, 2020, 12, 15380 (Journal Link)

28. Effects of chlorine mixing on optoelectronics, ion migration, and gamma-ray detection in bromide perovskites, N Rybin, D Ghosh*, J Tisdale, S Shrestha, M Yoho, D Vo, J Even, C Katan et al. Chemistry of Materials, 2020, 32, 1854 (Journal Link)

27. Characterizing MAPbI3 with the aid of first-principles calculations, M J Wolf, D Ghosh, J Kullgren, Characterization Techniques for Perovskite Solar Cell Materials, 217-236 (Journal Link)

2019

26. Tuning electronic structure in layered hybrid perovskites with organic spacer substitution, J Leveillee, C Katan, J Even, D Ghosh, W Nie, AD Mohite, S Tretiak et al. Nano letters, 2019, 19, 8732 (Journal Link)

25. Lattice Expansion in Hybrid Perovskites: Effect on Optoelectronic Properties and Charge Carrier Dynamics, D Ghosh*, D Acharya, L Zhou, W Nie, OV Prezhdo, S Tretiak, AJ Neukirch, The Journal of Physical Chemistry Letters, 2019, 10, 5000 (Journal Link) 

24. Toward understanding the different influences of grain boundaries on ion transport in sulfide and oxide solid electrolytes, JA Dawson, P Canepa, MJ Clarke, T Famprikis, D Ghosh, MS Islam, Chemistry of Materials, 2019, 31, 5296 (Journal Link)  

23. Putting the Squeeze on Lead Iodide Perovskites: Pressure-Induced Effects to Tune their Structural and  Optoelectronic Behaviour, D Ghosh*, A Aziz, JA Dawson, AB Walker, MS Islam, Chemistry of Materials, 2019, 31, 4063 (Journal Link)   

22. Partial cation substitution reduces iodide ion transport in lead iodide perovskite solar cells

DW Ferdani, SR Pering, D Ghosh, P Kubiak, AB Walker, SE Lewis et al. Energy and Environmental Science, 2019, 12, 2264 (Journal Link) 

2018

21. Mixed A-cation perovskites for solar cells: atomic-scale insights into structural distortion, hydrogen  bonding, and electronic properties, D Ghosh*, AR Smith, AB Walker, MS Islam, Chemistry of Materials,   2018, 30, 5194 (Journal Link) 

20. Shining light on new-generation two-dimensional materials from a computational viewpoint, A Bandyopadhyay, D Ghosh, SK Pati, The Journal of Physical Chemistry Letters, 2018, 9, 1605 (Journal Link)

19. Lead-free perovskite semiconductors based on germanium–tin solid solutions: structural and optoelectronic properties, S Nagane, D Ghosh, RLZ Hoye, B Zhao, S Ahmad, AB Walker, MS Islam et al.

The Journal of Physical Chemistry C, 2018, 122, 5940 (Journal Link)

18. Phase Behaviour and Polymorphism of Formamidinium Lead Iodide, O J Weber, D Ghosh, S Gaines, PF

Henry, AB Walker, MS Islam et al. Chemistry of Materials, 2018, 30, 3768 (Journal Link)

17. Effects of point defects on the magnetoelectronic structures of MXenes from first principles, A

Bandyopadhyay, D Ghosh, SK Pati, Physical Chemistry Chemical Physics, 2018, 20, 4012  (Journal Link)

2017

16. Good Vibrations: Locking of Octahedral Tilting in Mixed-Cation Iodide Perovskites for Solar Cells, D Ghosh, P Walsh Atkins, MS Islam, AB Walker, C Eames, ACS Energy Lett. 2017, 2, 2424 (Journal Link)

15. Photocatalytic Activity of g-C3N4 Quantum Dots in Visible Light: Effect of Physicochemical Modifications, A Bandyopadhyay, D Ghosh, NM Kaley, SK Pati, The Journal of Physical Chemistry C,

2017, 121, 1982 (Journal Link)

14. Azetidinium lead iodide for perovskite solar cells, SR Pering, W Deng, JR Troughton, PS Kubiak, D

Ghosh, RG Niemann et al. Journal of Materials Chemistry A, 2017, 5, 20658 (Journal Link)

13. Trapping and sensing of hazardous insecticides by chemically modified single-walled carbon nanotubes, A Bandyopadhyay, D Ghosh, SK Pati, Physical Chemistry Chemical Physics, 2017, 19, 24059

      (Journal Link) 

12. Trapping of gaseous pollutants on defective N-doped graphene, D Ghosh, SK Pati, Physical Chemistry Chemical Physics, 2017, 19, 636 (Journal Link)

2016

11. 2D coordination polymer composed of 1D {NiII (μ-O)(μ-H2O) NiII} n ferromagnetic chains: Modulation of magnetic properties based on dehydration and rehydration, SA Adalikwu, A Chakraborty, A Hazra, D Ghosh, SK Pati, TK Maji, Polyhedron, 2016, 115, 276  (Journal Link)

10. Spin-state switching of manganese porphyrin by conformational modification, D Ghosh, P Parida, SK

Pati The Journal of Physical Chemistry C, 2016, 120, 3625 (Journal Link)

2015

9. Stable line defects in silicene, D Ghosh, P Parida, SK Pati, Physical Review B. 2015, 92, 195136 (Journal  Link)

8. Spin-crossover molecule-based thermoelectric junction, D Ghosh, P Parida, SK Pati, Appl. Phys. Lett.

2015, 106, 193105  (Journal Link)

2014

7. Transition Metal Embedded Two-Dimensional C3N4–Graphene Nanocomposite: A Multifunctional Material, D Ghosh, G Periyasamy, SK Pati, The Journal of Physical Chemistry C, 2014, 118, 15487 (Journal    Link)

6. Insertion of line defect in nanoribbons of graphene, boron nitride, and hybrid of them: an AIMD study

D Ghosh, P Parida, SK Pati, The Journal of Physical Chemistry C, 2014, 118, 14670 (Journal Link)

5. Computational studies on magnetism and the optical properties of transition metal embedded graphitic carbon nitride sheets, D Ghosh, G Periyasamy, B Pandey, SK Pati, Journal of Materials Chemistry C, 2014, 2, 7943 (Journal Link) 

4. Line defects at the heterojunction of hybrid boron nitride–graphene nanoribbons, D Ghosh, P Parida, SK Pati, Journal of Materials Chemistry C, 2014, 2, 392 (Journal Link)

2013

3. Adsorption of HF pollutant on single vacant 2D nanosheets: ab initio molecular dynamics study, D Ghosh, G Periyasamy, SK Pati, The Journal of Physical Chemistry C, 2013, 117, 21700 (Journal Link)

2012

2. Electronic, Magnetic, and Transport Properties of Fen-bis(n-acene) and Fen-bis(n-BNacene) [n = 1,2,∝]: A Theoretical Study, D Ghosh, P Parida, SK Pati, The Journal of Physical Chemistry C, 2012, 116, 18487 (Journal Link)

2011

1. Density functional theoretical investigation of the aromatic nature of BN substituted benzene and four ring polyaromatic hydrocarbons, D Ghosh, G Periyasamy, SK Pati, Physical Chemistry Chemical Physics, 2011, 13, 20627 (Journal Link)