| Screening of suitable cationic dopants for solar absorber material CZTS/Se: A first principles study MV Jyothirmai, H Saini, N Park, R Thapa Scientific reports 9 (1), 15983, 2019 | 34 | 2019 |
| Mechanistic insights for electrochemical reduction of CO2 into hydrocarbon fuels over O-terminated MXenes V Parey, BM Abraham, MV Jyothirmai, JK Singh Catalysis Science & Technology 12 (7), 2223-2231, 2022 | 24 | 2022 |
| Accelerating the Discovery of g-C3N4-Supported Single Atom Catalysts for Hydrogen Evolution Reaction: A Combined DFT and Machine Learning Strategy MV Jyothirmai, D Roshini, BM Abraham, JK Singh ACS Applied Energy Materials 6 (10), 5598-5606, 2023 | 16 | 2023 |
| Homonuclear B2/B3 doped carbon allotropes as a universal gas sensor: Possibility of CO oxidation and CO2 hydrogenation V Parey, MV Jyothirmai, EM Kumar, B Saha, NK Gaur, R Thapa Carbon 143, 38-50, 2019 | 14 | 2019 |
| Induced ferromagnetism and metal-insulator transition due to a charge transfer effect in silver nanoparticle decorated S Bag, S Bhattacharya, D Dinda, MV Jyothirmai, R Thapa, SK Saha Physical Review B 98 (1), 014109, 2018 | 13 | 2018 |
| Rational design of fused-ring based non-fullerene acceptors for high performance organic solar cells S Haseena, MV Jyothirmai, MK Ravva Solar Energy 242, 201-211, 2022 | 7 | 2022 |
| Tuning the structural properties and chemical activities of graphene and hexagonal boron nitride for efficient adsorption of steroidal pollutants BM Abraham, V Parey, MV Jyothirmai, JK Singh Applied Surface Science 580, 152110, 2022 | 6 | 2022 |
| Role of van der Waals interaction in enhancing the photon absorption capability of the MoS 2/2D heterostructure H Saini, MV Jyothirmai, UV Waghmare, R Thapa Physical Chemistry Chemical Physics 22 (5), 2775-2782, 2020 | 6 | 2020 |
| Electronic structure and origin of intrinsic defects in sputtered HfTiO2 alloy dielectric on GaAs surface C Mahata, MV Jyothirmai, MK Ravva, S Chakrabortty, S Kim, S Biring, ... Journal of Alloys and Compounds 910, 164817, 2022 | 3 | 2022 |
| The pressure induced phase diagram of double-layer ice under confinement: a first-principles study MV Jyothirmai, BM Abraham, JK Singh Physical Chemistry Chemical Physics 24 (27), 16647-16654, 2022 | 3 | 2022 |
| Inter-relationship of the Structural Properties of Quaternary Chalcogenides CuZn2Ga(S/Se)4: A First-Principles Study MV Jyothirmai Journal of Electronic Materials 50 (4), 1707-1712, 2021 | 3 | 2021 |
| Changes in structure and stability of lithium polysulfides encapsulated in carbon nanotubes: A DFT study MV Jyothirmai, MK Ravva Journal of Molecular Liquids 359, 119287, 2022 | 2 | 2022 |
| Machine-Learning-Driven High-Throughput Screening of Transition-Metal Atom Intercalated g-C3N4/MX2 (M= Mo, W; X= S, Se, Te) Heterostructures for the Hydrogen Evolution Reaction MV Jyothirmai, R Dantuluri, P Sinha, BM Abraham, JK Singh ACS Applied Materials & Interfaces, 2024 | 1 | 2024 |
| MXene-Based Single-Atom Catalysts for Electrochemical Reduction of CO2 to Hydrocarbon Fuels A Athawale, BM Abraham, MV Jyothirmai, JK Singh The Journal of Physical Chemistry C 127 (51), 24542-24551, 2023 | 1 | 2023 |
| Role of Intrinsic Defects in Enhancing the Photoabsorption Capability of CuZn2AlSe4 MV Jyothirmai, R Thapa ACS omega 7 (35), 31098-31105, 2022 | 1 | 2022 |
| Bioengineering of Cu2O structured macro-biotemplate for the ultra-efficient and selective hand-retrieval of glyphosate from agro-farms DS Parimi, MV Jyothirmai, MK Ravva, AK Jaiswal, AK Suresh Science of The Total Environment, 171051, 2024 | | 2024 |
| Electrochemical CO2 Conversion via MXenes: A DFT Perspective BM Abraham, MV Jyothirmai, JK Singh Age of MXenes, Volume 1. Fundamentals and Artificial Intelligence: Machine …, 2023 | | 2023 |
| Sustainable Bioengineering of Cu2o Structured Macro-Biotemplate for Ultra-Efficient and Selective Hand-Retrieval of Glyphosate from Agro-Farms DS Parimi, MV Jyothirmai, MK Ravva, A SURESH Available at SSRN 4693504, 0 | | |
| First Principles Identification of Quaternary Chalcogenide Based Solar Absorber Materials MV Jyothirmai Kattankulathur, 0 | | |
B. Moses Abraham, PhD, MRSCA.J. Drexel Nanomaterials Institute, Drexel UniversityVerified email at drexel.edu
