| Adsorption and reductive defluorination of perfluorooctanoic acid over palladium nanoparticles M Long, J Donoso, M Bhati, WC Elias, KN Heck, YH Luo, YJS Lai, H Gu, ... Environmental Science & Technology 55 (21), 14836-14843, 2021 | 48 | 2021 |
| Mechanistic insight into the photo-oxidation of perfluorocarboxylic acid over boron nitride Y Chen, M Bhati, BW Walls, B Wang, MS Wong, TP Senftle Environmental Science & Technology 56 (12), 8942-8952, 2022 | 23 | 2022 |
| 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 10 (10), 5212-5220, 2022 | 15 | 2022 |
| Density Functional Theory Modeling of Photo-electrochemical Reactions on Semiconductors: H2 Evolution on 3C-SiC M Bhati, Y Chen, TP Senftle The Journal of Physical Chemistry C 124 (49), 26625-26639, 2020 | 13 | 2020 |
| Identifying adhesion properties at Si/polymer interfaces with ReaxFF M Bhati, TP Senftle The Journal of Physical Chemistry C 123 (44), 27036-27047, 2019 | 13 | 2019 |
| Surface hydrophobicity of boron nitride promotes PFOA photocatalytic degradation B Wang, Y Chen, J Samba, K Heck, X Huang, J Lee, J Metz, M Bhati, ... Chemical Engineering Journal 483, 149134, 2024 | 11 | 2024 |
| Combining ReaxFF Simulations and Experiments to Evaluate the Structure–Property Characteristics of Polymeric Binders in Si-Based Li-Ion Batteries M Bhati, QA Nguyen, SL Biswal, TP Senftle ACS Applied Materials & Interfaces 13 (35), 41956-41967, 2021 | 6 | 2021 |
| 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 15 (15), 7176-7185, 2023 | 5 | 2023 |
| Ligand Controls Excited Charge Carrier Dynamics in Metal-Rich CdSe Quantum Dots: Computational Insights K Samanta, P Deswal, S Alam, M Bhati, SA Ivanov, S Tretiak, D Ghosh ACS nano 18 (36), 24941-24952, 2024 | 2 | 2024 |
| Theoretical Methods for Assessing the Feasibility of PFOA Oxidation on Photo-Catalyst Surfaces Y Chen, M Bhati, T Senftle 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Theoretical Insights into the Photocatalytic PFOA Degradation Mechanism over Boron Nitride Y Chen, M Bhati, T Senftle 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Multiscale Modeling of Electrochemical Interfaces M Bhati | | 2022 |
| 2021 Virtual Theoretical Division Lightning Talk Series ML Ramsey, CL Adams, EM Archer, AM Arzola Roig, S Banerjee, ... Los Alamos National Laboratory (LANL), Los Alamos, NM (United States), 2021 | | 2021 |
| Solving the quantum simulation problem via signal analysis M Ramsey, C Adams, E Archer, A Arzola Roig, S Banerjee, A Bellante, ... 2021 Virtual Theoretical Division Lightning Talk Series, 2021 | | 2021 |
| Multi-scale modeling of Li-ion battery anode materials using reactive force fields M Bhati, T Senftle ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |