Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional J Sun, RC Remsing, Y Zhang, Z Sun, A Ruzsinszky, H Peng, Z Yang, ... Nature chemistry 8 (9), 831-836, 2016 | 884 | 2016 |
Enhanced performance of light-controlled conductive switching in hybrid cuprous oxide/reduced graphene oxide (Cu2O/rGO) nanocomposites J Wei, Z Zang, Y Zhang, M Wang, J Du, X Tang Optics letters 42 (5), 911-914, 2017 | 567 | 2017 |
Enhanced photoresponse of self-powered perovskite photodetector based on ZnO nanoparticles decorated CsPbBr3 films C Li, C Han, Y Zhang, Z Zang, M Wang, X Tang, J Du Solar Energy Materials and Solar Cells 172, 341-346, 2017 | 437 | 2017 |
High‐performance pseudocubic thermoelectric materials from non‐cubic chalcopyrite compounds J Zhang, R Liu, N Cheng, Y Zhang, J Yang, C Uher, X Shi, L Chen, ... Wiley Periodicals, Inc., 2014 | 310 | 2014 |
High intrinsic carrier mobility and photon absorption in the perovskite CH 3 NH 3 PbI 3 Y Wang, Y Zhang, P Zhang, W Zhang Physical Chemistry Chemical Physics 17 (17), 11516-11520, 2015 | 247 | 2015 |
Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA Y Zhang, J Sun, JP Perdew, X Wu Physical Review B 96 (3), 035143, 2017 | 242 | 2017 |
Theoretical and experimental investigation of highly photocatalytic performance of CuInZnS nanoporous structure for removing the NO gas Y Ye, Z Zang, T Zhou, F Dong, S Lu, X Tang, W Wei, Y Zhang Journal of catalysis 357, 100-107, 2018 | 219 | 2018 |
Efficient first-principles prediction of solid stability: Towards chemical accuracy Y Zhang, DA Kitchaev, J Yang, T Chen, ST Dacek, RA Sarmiento-Pérez, ... npj Computational Materials 4 (1), 9, 2018 | 195 | 2018 |
Chemical bonding, conductive network, and thermoelectric performance of the ternary semiconductors CuSn ( Se, S) from first principles L Xi, YB Zhang, XY Shi, J Yang, X Shi, LD Chen, W Zhang, J Yang, ... Physical Review B 86 (15), 155201, 2012 | 180 | 2012 |
An accurate first-principles treatment of doping-dependent electronic structure of high-temperature cuprate superconductors JW Furness, Y Zhang, C Lane, IG Buda, B Barbiellini, RS Markiewicz, ... Communications Physics 1 (1), 11, 2018 | 134 | 2018 |
Comparative study of structural and electronic properties of Cu-based multinary semiconductors Y Zhang, X Yuan, X Sun, BC Shih, P Zhang, W Zhang Physical Review B 84 (7), 075127, 2011 | 130 | 2011 |
Highly efficient emission and high-CRI warm white light-emitting diodes from ligand-modified CsPbBr3 quantum dots D Yan, S Zhao, Y Zhang, H Wang, Z Zang Opto-Electronic Advances 5 (1), 200075-1-200075-14, 2022 | 124 | 2022 |
Antiferromagnetic ground state of : A parameter-free ab initio description C Lane, JW Furness, IG Buda, Y Zhang, RS Markiewicz, B Barbiellini, ... Physical Review B 98 (12), 125140, 2018 | 110 | 2018 |
Structural properties and quasiparticle band structures of Cu-based quaternary semiconductors for photovoltaic applications Y Zhang, X Sun, P Zhang, X Yuan, F Huang, W Zhang Journal of Applied Physics 111 (6), 2012 | 99 | 2012 |
Competing stripe and magnetic phases in the cuprates from first principles Y Zhang, C Lane, JW Furness, B Barbiellini, JP Perdew, RS Markiewicz, ... Proceedings of the National Academy of Sciences 117 (1), 68-72, 2020 | 97 | 2020 |
Electronic structure of antifluorite Cu2X (X= S, Se, Te) within the modified Becke-Johnson potential plus an on-site Coulomb U Y Zhang, Y Wang, L Xi, R Qiu, X Shi, P Zhang, W Zhang The Journal of chemical physics 140 (7), 2014 | 82 | 2014 |
VO: Orbital competition, magnetism, and phase stability X Yuan, Y Zhang, TA Abtew, P Zhang, W Zhang Physical review B 86 (23), 235103, 2012 | 78 | 2012 |
Screened Coulomb interaction of localized electrons in solids from first principles BC Shih, Y Zhang, W Zhang, P Zhang Physical Review B 85 (4), 045132, 2012 | 78 | 2012 |
Regulating Exciton–Phonon Coupling to Achieve a Near‐Unity Photoluminescence Quantum Yield in One‐Dimensional Hybrid Metal Halides H Luo, S Guo, Y Zhang, K Bu, H Lin, Y Wang, Y Yin, D Zhang, S Jin, ... Advanced Science 8 (14), 2100786, 2021 | 65 | 2021 |
Symmetry-breaking polymorphous descriptions for correlated materials without interelectronic U Y Zhang, J Furness, R Zhang, Z Wang, A Zunger, J Sun Physical Review B 102 (4), 045112, 2020 | 63 | 2020 |