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 | 902 | 2016 |
Ab initio theory and modeling of water M Chen, HY Ko, RC Remsing, MF Calegari Andrade, B Santra, Z Sun, ... Proceedings of the National Academy of Sciences 114 (41), 10846-10851, 2017 | 380 | 2017 |
Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble L Zheng, M Chen, Z Sun, HY Ko, B Santra, P Dhuvad, X Wu The Journal of Chemical Physics 148 (16), 2018 | 81 | 2018 |
Electron-hole theory of the effect of quantum nuclei on the X-ray absorption spectra of liquid water Z Sun, L Zheng, M Chen, ML Klein, F Paesani, X Wu Physical Review Letters 121 (13), 137401, 2018 | 55 | 2018 |
The influence of surface chemistry on critical current density for garnet electrolyte S Chen, Z Nie, F Tian, L Nie, R Wei, J Yu, T Gao, Z Sun, N Yang, W Liu Advanced Functional Materials 32 (23), 2113318, 2022 | 43 | 2022 |
A route toward digital manipulation of water nanodroplets on surfaces M Cheng, D Wang, Z Sun, J Zhao, R Yang, G Wang, W Yang, G Xie, ... ACS nano 8 (4), 3955-3960, 2014 | 38 | 2014 |
Role of proton ordering in adsorption preference of polar molecule on ice surface Z Sun, D Pan, L Xu, E Wang Proceedings of the National Academy of Sciences 109 (33), 13177-13181, 2012 | 36 | 2012 |
Inorganic Low k Cage-molecular Crystals J Peng, W Pu, S Lu, X Yang, C Wu, N Wu, Z Sun, HT Wang Nano Letters 21 (1), 203-208, 2020 | 32 | 2020 |
Moiré phonons in magic-angle twisted bilayer graphene X Liu, R Peng, Z Sun, J Liu Nano letters 22 (19), 7791-7797, 2022 | 28 | 2022 |
SCAN: An efficient density functional yielding accurate structures and energies of diversely-bonded materials J Sun, RC Remsing, Y Zhang, Z Sun, A Ruzsinszky, H Peng, Z Yang, ... arXiv preprint arXiv:1511.01089, 2015 | 26 | 2015 |
Liquid-liquid phase transition in water ZR Sun, G Sun, YX Chen, LM Xu Science China Physics, Mechanics & Astronomy 57, 810-818, 2014 | 26 | 2014 |
On-surface synthesis of C144 hexagonal coronoid with zigzag edges X Zhu, Y Liu, W Pu, FZ Liu, Z Xue, Z Sun, KK Yan, P Yu ACS nano 16 (7), 10600-10607, 2022 | 19 | 2022 |
X-ray absorption of liquid water by advanced ab initio methods Z Sun, M Chen, L Zheng, J Wang, B Santra, H Shen, L Xu, W Kang, ... Physical Review B 96 (10), 104202, 2017 | 19 | 2017 |
Importance of nuclear quantum effects on the hydration of chloride ion J Xu, Z Sun, C Zhang, M DelloStritto, D Lu, ML Klein, X Wu Physical Review Materials 5 (1), L012801, 2021 | 18 | 2021 |
Elastic Properties of High-Symmetry Sb4O6 Cage-Molecular Crystal C Wu, J Peng, W Pu, S Lu, C Zhang, N Wu, Z Sun, H Zhang, HT Wang The Journal of Physical Chemistry Letters 12 (37), 9011-9019, 2021 | 6 | 2021 |
Molecular dynamics simulation of ammonium ion removal by freezing concentration M Liu, Q Shi, Z Sun Nano Express 3 (4), 045005, 2023 | 4 | 2023 |
The Atomistic Understanding of the Ice Recrystallization Inhibition Activity of Antifreeze Glycoproteins W Yang, Y Liao, Q Shi, Z Sun Crystals 13 (3), 405, 2023 | 2 | 2023 |
On-Surface Synthesis of All-cis Standing Phenanthrene Polymers upon Selective C–H Bond Activation Q Du, W Pu, Z Sun, P Yu The Journal of Physical Chemistry Letters 11 (13), 5022-5028, 2020 | 2 | 2020 |
Progress in the structural and physical properties of ice surface Z Sun, D Pan, L Xu, E Wang Scientia Sinica Physica, Mechanica & Astronomica 43 (10), 1144, 2013 | 2 | 2013 |
Signature of the hydrogen-bonded environment of liquid water in X-ray emission spectra from first-principles calculations H Shen, M Chen, Z Sun, L Xu, E Wang, X Wu Frontiers of Physics 13, 1-10, 2018 | 1 | 2018 |