| Recent progress in theoretical and computational investigations of Li-ion battery materials and electrolytes MD Bhatt, C O'Dwyer Physical chemistry chemical physics 17 (7), 4799-4844, 2015 | 322 | 2015 |
| Recent theoretical progress in the development of photoanode materials for solar water splitting photoelectrochemical cells MD Bhatt, JS Lee Journal of Materials Chemistry A 3 (20), 10632-10659, 2015 | 179 | 2015 |
| Key scientific challenges in current rechargeable non-aqueous Li–O 2 batteries: experiment and theory MD Bhatt, H Geaney, M Nolan, C O'Dwyer Physical Chemistry Chemical Physics 16 (24), 12093-12130, 2014 | 156 | 2014 |
| Advancement of platinum (Pt)-free (non-Pt precious metals) and/or metal-free (non-precious-metals) electrocatalysts in energy applications: A review and perspectives MD Bhatt, JY Lee Energy & Fuels 34 (6), 6634-6695, 2020 | 119 | 2020 |
| High capacity conversion anodes in Li-ion batteries: A review MD Bhatt, JY Lee International Journal of Hydrogen Energy 44 (21), 10852-10905, 2019 | 116 | 2019 |
| Various defects in graphene: a review MD Bhatt, H Kim, G Kim RSC advances 12 (33), 21520-21547, 2022 | 103 | 2022 |
| Interaction of Li+ ions with ethylene carbonate (EC): Density functional theory calculations MD Bhatt, M Cho, K Cho Applied Surface Science 257 (5), 1463-1468, 2010 | 101 | 2010 |
| Sulfur-doped dicobalt phosphide outperforming precious metals as a bifunctional electrocatalyst for alkaline water electrolysis MAR Anjum, MD Bhatt, MH Lee, JS Lee Chemistry of Materials 30 (24), 8861-8870, 2018 | 80 | 2018 |
| Nanomaterials for photocatalytic hydrogen production: from theoretical perspectives MD Bhatt, JS Lee RSC advances 7 (55), 34875-34885, 2017 | 60 | 2017 |
| Density functional theory calculations and ab initio molecular dynamics simulations for diffusion of Li+ within liquid ethylene carbonate MD Bhatt, M Cho, K Cho Modelling and Simulation in Materials Science and Engineering 20 (6), 065004, 2012 | 59 | 2012 |
| Conduction of Li+ cations in ethylene carbonate (EC) and propylene carbonate (PC): comparative studies using density functional theory MD Bhatt, M Cho, K Cho Journal of Solid State Electrochemistry 16, 435-441, 2012 | 56 | 2012 |
| Density functional theory calculations for ethylene carbonate-based binary electrolyte mixtures in lithium ion batteries MD Bhatt, C O'Dwyer Current Applied Physics 14 (3), 349-354, 2014 | 48 | 2014 |
| Metal‐Free Artificial Photosynthesis of Carbon Monoxide Using N‐Doped ZnTe Nanorod Photocathode Decorated with N‐Doped Carbon Electrocatalyst Layer YJ Jang, MD Bhatt, J Lee, SH Choi, BJ Lee, JS Lee Advanced Energy Materials 8 (20), 1702636, 2018 | 47 | 2018 |
| Solid electrolyte interphases at Li-ion battery graphitic anodes in propylene carbonate (PC)-based electrolytes containing FEC, LiBOB, and LiDFOB as additives MD Bhatt, C O’Dwyer Chemical Physics Letters 618, 208-213, 2015 | 46 | 2015 |
| The role of carbonate and sulfite additives in propylene carbonate-based electrolytes on the formation of SEI layers at graphitic Li-ion battery anodes MD Bhatt, C O’Dwyer Journal of the Electrochemical Society 161 (9), A1415, 2014 | 45 | 2014 |
| Current progress and scientific challenges in the advancement of organic–inorganic lead halide perovskite solar cells MD Bhatt, JS Lee New Journal of Chemistry 41 (19), 10508-10527, 2017 | 33 | 2017 |
| Density functional theory (DFT) calculations for oxygen reduction reaction mechanisms on metal-, nitrogen-co-doped graphene (M-N2-G (M= Ti, Cu, Mo, Nb and Ru)) electrocatalysts MD Bhatt, G Lee, JS Lee Electrochimica Acta 228, 619-627, 2017 | 32 | 2017 |
| Oxygen reduction reaction mechanisms on Al-doped X-graphene (X= N, P, and S) catalysts in acidic medium: a comparative DFT study MD Bhatt, G Lee, JS Lee The Journal of Physical Chemistry C 120 (46), 26435-26441, 2016 | 31 | 2016 |
| Effect of lattice strain on nanomaterials in energy applications: A perspective on experiment and theory MD Bhatt, JS Lee International Journal of Hydrogen Energy 42 (25), 16064-16107, 2017 | 14 | 2017 |
| Density functional theory calculations for the interaction of Li+ cations and PF6– anions with nonaqueous electrolytes MD Bhatt, M Cho, K Cho Canadian Journal of Chemistry 89 (12), 1525-1532, 2011 | 14 | 2011 |
Colm O'DwyerPresident, The Electrochemical Society (ECS), and Professor of Chemical Energy, UCC, IrelandVerified email at ucc.ie
