Understanding density-driven errors for reaction barrier heights AD Kaplan, C Shahi, P Bhetwal, RK Sah, JP Perdew
Journal of Chemical Theory and Computation 19 (2), 532-543, 2023
25 2023 Tuning band alignment at a semiconductor-crystalline oxide heterojunction via electrostatic modulation of the interfacial dipole M Chrysler, J Gabel, TL Lee, AN Penn, BE Matthews, DM Kepaptsoglou, ...
Physical Review Materials 5 (10), 104603, 2021
19 2021 Strain-induced anion-site occupancy in perovskite oxyfluoride films J Wang, Y Shin, JR Paudel, JD Grassi, RK Sah, W Yang, E Karapetrova, ...
Chemistry of materials 33 (5), 1811-1820, 2021
15 2021 Correlating electronic properties with M-site composition in solid solution Ti y Nb2-y CT x MXenes Y Yang, M Han, CE Shuck, RK Sah, JR Paudel, AX Gray, Y Gogotsi, ...
2D Materials 10 (1), 014011, 2022
7 2022 How does HF-DFT achieve chemical accuracy for water clusters? AD Kaplan, C Shahi, RK Sah, P Bhetwal, B Kanungo, V Gavini, ...
Journal of Chemical Theory and Computation 20 (13), 5517-5527, 2024
6 2024 Direct experimental evidence of tunable charge transfer at the JR Paudel, M Terilli, TC Wu, JD Grassi, AM Derrico, RK Sah, M Kareev, ...
Physical Review B 108 (5), 054441, 2023
3 2023 Ultrathin epitaxial W Yang, L Kasaei, H Hijazi, S Rangan, Y Yeh, RK Sah, JR Paudel, ...
Physical Review Materials 7 (1), 014803, 2023
3 2023 Effect of strain on the band gap of monolayer RK Sah, H Tang, C Shahi, A Ruzsinszky, JP Perdew
Physical Review B 110 (14), 144109, 2024
2 2024 Depth-Resolved Profile of the Interfacial Ferromagnetism in CaMnO3 /CaRuO3 Superlattices JR Paudel, AM Tehrani, M Terilli, M Kareev, J Grassi, RK Sah, L Wu, ...
Nano Letters 24 (48), 15195-15201, 2024
2024 Comparison of meta-GGAs, RK Sah, MJ Zdilla, E Borguet, JP Perdew
Physical Review B 110 (18), 184114, 2024
2024 Comparing Meta-GGAs, +U Corrections, and Hybrid Functionals for Polaronic Point Defects in Layered MnO RK Sah, MJ Zdilla, E Borguet, JP Perdew
arXiv preprint arXiv:2404.14317, 2024
2024 Meta-GGAs vs. Hybrid Functionals for Point Defects: The Best of Both Worlds Applied to Layered MnO RK Sah, MJ Zdilla, E Borguet, JP Perdew
arXiv e-prints, arXiv: 2404.14317, 2024
2024 Redox properties of transition metal oxides NiO2 and CoO2 from a defect perspective R Sah, M Zdilla, E Borguet, JP Perdew
APS March Meeting Abstracts 2024, A60. 006, 2024
2024 Description of Polarons in Layered Transition Metal Oxides Using the r2SCAN Density Functional With Fully Nonlocal Corrections and Effect of Strain on the Band Gap of Monolayer … RK Sah
Temple University, 2024
2024 Ion Beam Induced Damage in MgB2 Thin Films L Kasaei, H Hijazi, R Sah, J Paudel, H Yang, W Yang, T Gustafsson, ...
APS March Meeting Abstracts 2021, C47. 010, 2021
2021 Strain-induced anion ordering in perovskite oxyfluoride films J Wang, Y Shin, JR Paudel, JD Grassi, RK Sah, W Yang, E Karapetrova, ...
arXiv preprint arXiv:2012.01221, 2020
2020 Probing bulk electronic structure with a laboratory-based hard x-ray angle-resolved photoemission spectrometer J Grassi, A Arab, J Paudel, R Sah, W Yang, R Chandrasena, K Kobayashi, ...
Bulletin of the American Physical Society 65, 2020
2020 
John P. PerdewTemple UniversityΗ διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα temple.edu