| Long-range charge transfer and oxygen vacancy interactions in strontium ferrite T Das, JD Nicholas, Y Qi Journal of materials chemistry A 5 (9), 4493-4506, 2017 | 80 | 2017 |
| Effect of cobalt content on the electrochemical properties and structural stability of NCA type cathode materials K Ghatak, S Basu, T Das, V Sharma, H Kumar, D Datta Physical Chemistry Chemical Physics 20 (35), 22805-22817, 2018 | 38 | 2018 |
| Polaron size and shape effects on oxygen vacancy interactions in lanthanum strontium ferrite T Das, JD Nicholas, Y Qi Journal of materials chemistry A 5 (47), 25031-25043, 2017 | 35 | 2017 |
| Pitfalls in the management of TB-associated uveitis S Basu, T Das Eye 24 (11), 1681-1684, 2010 | 28 | 2010 |
| Anisotropic chemical strain in cubic ceria due to oxygen-vacancy-induced elastic dipoles T Das, JD Nicholas, BW Sheldon, Y Qi Physical Chemistry Chemical Physics 20 (22), 15293-15299, 2018 | 27 | 2018 |
| Characterization of the solid electrolyte interphase at the Li metal–ionic liquid interface MY Yang, SV Zybin, T Das, BV Merinov, WA Goddard, EK Mok, HJ Hah, ... Advanced Energy Materials 13 (3), 2202949, 2023 | 15 | 2023 |
| Composition, crystallography, and oxygen vacancy ordering impacts on the oxygen ion conductivity of lanthanum strontium ferrite T Das, JD Nicholas, Y Qi Physical Chemistry Chemical Physics 22 (17), 9723-9733, 2020 | 11 | 2020 |
| First-Principles Studies of Oxygen Vacancy Interactions and Their Impact on Oxygen Migration in Lanthanum Strontium Ferrite T Das, JD Nicholas, Y Qi ECS Transactions 78 (1), 2807, 2017 | 8 | 2017 |
| Thermomechanical properties of nontoxic plasticizers for polyvinyl chloride predicted from molecular dynamics simulations SS Jagarlapudi, HS Cross, T Das, WA Goddard III ACS Applied Materials & Interfaces 15 (20), 24858-24867, 2023 | 5 | 2023 |
| Structural, dynamic, and diffusion properties of a Li 6 (PS 4) SCl superionic conductor from molecular dynamics simulations; prediction of a dramatically improved conductor T Das, BV Merinov, MY Yang, WA Goddard III Journal of Materials Chemistry A 10 (30), 16319-16327, 2022 | 5 | 2022 |
| Quantum-mechanics-based molecular dynamics simulations of the structure and performance of sulfur-enriched Li3PS4 cathodes SI Morozov, BV Merinov, T Das, SV Zybin, MY Yang, WA Goddard Cell Reports Physical Science 4 (3), 2023 | 1 | 2023 |
| Understanding Oxygen Vacancy Formation, Interaction, Transport, and Strain in SOFC Components via Combined Thermodynamics and First Principles Calculations T Das Michigan State University, 2017 | 1 | 2017 |
| Computationally Predicted New Solid-State Electrolyte (Li5+ x PS4+ x Cl2-x: 0≤ x≤ 2) and Poly Sulfide Cathodes (Li3+ y PS9 or Li5+ y PS9Cl2: 0≤ y≤ 9) for High Performance … T Das, S Morozov, B Merinov, S Zybin, MY Yang, WA Goddard III Electrochemical Society Meeting Abstracts 244, 773-773, 2023 | | 2023 |
| Understanding Ionic Diffusion Mechanisms in Li2S Coatings for Solid-State Batteries: Development of a Tailored Reactive Force Field for Multiscale Simulations M D’Amore, MY Yang, T Das, AM Ferrari, MM Kim, R Rocca, M Sgroi, ... The Journal of Physical Chemistry C 127 (47), 22880-22888, 2023 | | 2023 |
| Understanding of Structural, Dynamic and Ionic Diffusion Characteristics of Li6(PS4)SCl Superionic Conductor from Classical Molecular Dynamics T Das, BV Merinov, MY Yang, W Goddard Electrochemical Society Meeting Abstracts 241, 331-331, 2022 | | 2022 |
| Structural, dynamic, and diffusion properties of a Li₆ (PS₄) SCl superionic conductor from molecular dynamics simulations; prediction of a dramatically improved conductor T Das, BV Merinov, MY Yang, WA Goddard III | | 2022 |
| (Invited) Computing the Anisotropic Chemical Strain in Non-Stoichiometric Oxides for Solid Oxide Fuel Cell and Li-Ion Battery Applications Y Qi, C James, T Das, JD Nicholas, L Nation, BW Sheldon Electrochemical Society Meeting Abstracts 233, 1940-1940, 2018 | | 2018 |
| Predicting Oxygen Vacancy Polaron Size from D-Orbital Splitting in ABO3 (A=La, Sr; B=Mn, Fe, Co) Perovskites T Das, JD Nicholas, Y Qi Electrochemical Society Meeting Abstracts 232, 1722-1722, 2017 | | 2017 |
| Oxygen Vacancy in Cubic Crystals Produces Anisotropic Chemical Expansion T Das, C James, JD Nicholas, Y Qi Electrochemical Society Meeting Abstracts 231, 1155-1155, 2017 | | 2017 |
| Ni-Ta-Si Brazes for Planar Solid Oxide Fuel Cell Applications Q Zhou, T Das, Y Ma, Y Qi, JD Nicholas, T Bieler Electrochemical Society Meeting Abstracts 230, 1118-1118, 2016 | | 2016 |
Yue QiBrown UniversityVerified email at brown.edu
