Excitation gaps of finite-sized systems from optimally tuned range-separated hybrid functionals L Kronik, T Stein, S Refaely-Abramson, R Baer Journal of Chemical Theory and Computation 8 (5), 1515-1531, 2012 | 894 | 2012 |
Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional S Refaely-Abramson, R Baer, L Kronik Physical Review B—Condensed Matter and Materials Physics 84 (7), 075144, 2011 | 355 | 2011 |
Quasiparticle Spectra from a Nonempirical Optimally Tuned<? format?> Range-Separated Hybrid Density Functional S Refaely-Abramson, S Sharifzadeh, N Govind, J Autschbach, JB Neaton, ... Physical review letters 109 (22), 226405, 2012 | 306 | 2012 |
Gap renormalization of molecular crystals from density-functional theory S Refaely-Abramson, S Sharifzadeh, M Jain, R Baer, JB Neaton, L Kronik Physical Review B—Condensed Matter and Materials Physics 88 (8), 081204, 2013 | 293 | 2013 |
Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides S Barja, S Refaely-Abramson, B Schuler, DY Qiu, A Pulkin, S Wickenburg, ... Nature communications 10 (1), 3382, 2019 | 265 | 2019 |
Solid-state optical absorption from optimally tuned time-dependent range-separated hybrid density functional theory S Refaely-Abramson, M Jain, S Sharifzadeh, JB Neaton, L Kronik Physical Review B 92, 081204(R), 2015 | 186 | 2015 |
Large Spin-Orbit Splitting of Deep In-Gap Defect States of Engineered Sulfur Vacancies in Monolayer B Schuler, DY Qiu, S Refaely-Abramson, C Kastl, CT Chen, S Barja, ... Physical review letters 123 (7), 076801, 2019 | 180 | 2019 |
Theory of Chirality Induced Spin Selectivity: Progress and Challenges F Evers, A Aharony, N Bar‐Gill, O Entin‐Wohlman, P Hedegård, O Hod, ... Advanced Materials, 2106629, 2022 | 174 | 2022 |
Outer-valence electron spectra of prototypical aromatic heterocycles from an optimally tuned range-separated hybrid functional DA Egger, S Weissman, S Refaely-Abramson, S Sharifzadeh, M Dauth, ... Journal of Chemical Theory and Computation 10 (5), 1934-1952, 2014 | 157 | 2014 |
Defect-induced modification of low-lying excitons and valley selectivity in monolayer transition metal dichalcogenides S Refaely-Abramson, DY Qiu, SG Louie, JB Neaton Phys. Rev. Lett. 121 (16), 167402, 2018 | 138 | 2018 |
The role of chalcogen vacancies for atomic defect emission in MoS2 E Mitterreiter, B Schuler, A Micevic, D Hernangómez-Pérez, K Barthelmi, ... Nature communications 12 (1), 3822, 2021 | 136 | 2021 |
How Substitutional Point Defects in Two-Dimensional WS2 Induce Charge Localization, Spin–Orbit Splitting, and Strain B Schuler, JH Lee, C Kastl, KA Cochrane, CT Chen, S Refaely-Abramson, ... ACS nano 13 (9), 10520-10534, 2019 | 114 | 2019 |
Electronic transport via homopeptides: The role of side chains and secondary structure L Sepunaru, S Refaely-Abramson, R Lovrinčić, Y Gavrilov, P Agrawal, ... Journal of the American Chemical Society 137 (30), 9617-9626, 2015 | 112 | 2015 |
Cold denaturation induces inversion of dipole and spin transfer in chiral peptide monolayers M Eckshtain-Levi, E Capua, S Refaely-Abramson, S Sarkar, Y Gavrilov, ... Nature communications 7 (1), 10744, 2016 | 103 | 2016 |
Long-lived correlated triplet pairs in a π-stacked crystalline pentacene derivative BD Folie, JB Haber, S Refaely-Abramson, JB Neaton, NS Ginsberg Journal of the American Chemical Society 140 (6), 2326-2335, 2018 | 92 | 2018 |
Tuning electronic transport via hepta-alanine peptides junction by tryptophan doping C Guo, X Yu, S Refaely-Abramson, L Sepunaru, T Bendikov, I Pecht, ... Proceedings of the National Academy of Sciences 113 (39), 10785-10790, 2016 | 89 | 2016 |
Experimental and theoretical electronic structure of quinacridone D Lüftner, S Refaely-Abramson, M Pachler, R Resel, MG Ramsey, ... Physical Review B 90 (7), 075204, 2014 | 83 | 2014 |
Rational passivation of sulfur vacancy defects in two-dimensional transition metal dichalcogenides H Bretscher, Z Li, J Xiao, DY Qiu, S Refaely-Abramson, ... ACS nano 15, 8780-8789, 2021 | 76* | 2021 |
Energy level alignment at molecule-metal interfaces from an optimally tuned range-separated hybrid functional ZF Liu, DA Egger, S Refaely-Abramson, L Kronik, JB Neaton The Journal of Chemical Physics 146 (9), 2017 | 76 | 2017 |
Origins of Singlet Fission in Solid Pentacene from an ab initio Green’s Function Approach S Refaely-Abramson, FH da Jornada, SG Louie, JB Neaton Physical Review Letters 119 (26), 267401, 2017 | 69 | 2017 |