| Second group of high-pressure high-temperature lanthanide polyhydride superconductors W Sun, X Kuang, HDJ Keen, C Lu, A Hermann Physical Review B 102 (14), 144524, 2020 | 157 | 2020 |
| Structural Stability and Evolution of Medium-Sized Tantalum-Doped Boron Clusters: A Half-Sandwich-Structured TaB12 – Cluster BL Chen, WG Sun, XY Kuang, C Lu, XX Xia, HX Shi, G Maroulis Inorganic Chemistry 57 (1), 343-350, 2017 | 148 | 2017 |
| Phase stability and superconductivity of lead hydrides at high pressure B Chen, LJ Conway, W Sun, X Kuang, C Lu, A Hermann Physical Review B 103 (3), 035131, 2021 | 121 | 2021 |
| Evolution of the Structural and Electronic Properties of Medium-Sized Sodium Clusters: A Honeycomb-Like Na20 Cluster WG Sun, JJ Wang, C Lu, XX Xia, XY Kuang, A Hermann Inorganic chemistry 56 (3), 1241-1248, 2017 | 81 | 2017 |
| monolayer: A robust two-dimensional ferromagnet X Tang, W Sun, Y Gu, C Lu, L Kou, C Chen Physical Review B 99 (4), 045445, 2019 | 74 | 2019 |
| Structural and Electronic Properties of Medium-Sized Aluminum-Doped Boron Clusters AlBn and Their Anions S Jin, B Chen, X Kuang, C Lu, W Sun, X Xia, GL Gutsev The Journal of Physical Chemistry C 123 (10), 6276-6283, 2019 | 72 | 2019 |
| Ternary Na-PH superconductor under high pressure W Sun, B Chen, X Li, F Peng, A Hermann, C Lu Physical Review B 107 (21), 214511, 2023 | 56 | 2023 |
| Superconductivity in compressed ternary alkaline boron hydrides S Li, H Wang, W Sun, C Lu, F Peng Physical Review B 105 (22), 224107, 2022 | 53 | 2022 |
| Probing the structural and electronic properties of zirconium doped boron clusters: Zr distorted B 12 ligand framework W Sun, X Xia, C Lu, X Kuang, A Hermann Physical Chemistry Chemical Physics 20 (36), 23740-23746, 2018 | 48 | 2018 |
| Insights into the effects produced by doping of medium-sized boron clusters with ruthenium B Chen, W Sun, X Kuang, C Lu, X Xia, H Shi, GL Gutsev Physical Chemistry Chemical Physics 20 (48), 30376-30383, 2018 | 47 | 2018 |
| Probing the structure and electronic properties of beryllium doped boron clusters: A planar BeB16− cluster motif for metallo-borophene D Kang, W Sun, H Shi, C Lu, X Kuang, B Chen, X Xia, G Maroulis Scientific reports 9 (1), 14367, 2019 | 39 | 2019 |
| Mechanical properties of tantalum carbide from high-pressure/high-temperature synthesis and first-principles calculations W Sun, X Kuang, H Liang, X Xia, Z Zhang, C Lu, A Hermann Physical Chemistry Chemical Physics 22 (9), 5018-5023, 2020 | 38 | 2020 |
| Negative poisson ratio in two-dimensional tungsten nitride: synergistic effect from electronic and structural properties W Jin, W Sun, X Kuang, C Lu, L Kou The Journal of Physical Chemistry Letters 11 (22), 9643-9648, 2020 | 37 | 2020 |
| Ternary Mg-Nb-H polyhydrides under high pressure X Dou, X Kuang, W Sun, G Jiang, C Lu, A Hermann Physical Review B 104 (22), 224510, 2021 | 36 | 2021 |
| Probing the Interactions of O2 with Small Gold Cluster AunQ (n = 2–10, Q = 0, −1): A Neutral Chemisorbed Complex Au5O2 Cluster Predicted HX Shi, WG Sun, XY Kuang, C Lu, XX Xia, BL Chen, A Hermann The Journal of Physical Chemistry C 121 (44), 24886-24893, 2017 | 31 | 2017 |
| New Theoretical Insights into the Crystal-Field Splitting and Transition Mechanism for Nd3+-Doped Y3Al5O12 M Ju, Y Xiao, MM Zhong, W Sun, X Xia, Y Yeung, C Lu ACS applied materials & interfaces 11 (11), 10745-10750, 2019 | 29 | 2019 |
| Atomically thin NiB 6 monolayer: a robust Dirac material X Tang, W Sun, C Lu, L Kou, C Chen Physical Chemistry Chemical Physics 21 (2), 617-622, 2019 | 29 | 2019 |
| Pressure-Driven Structural Phase Transitions and Superconductivity of Ternary Hydride MgVH6 J Zheng, W Sun, X Dou, AJ Mao, C Lu The Journal of Physical Chemistry C 125 (5), 3150-3156, 2021 | 27 | 2021 |
| In-Depth Determination of the Microstructure and Energy Transition Mechanism for Nd3+-Doped Yttrium Oxide Laser Crystals M Ju, Y Xiao, W Sun, C Lu, Y Yeung The Journal of Physical Chemistry C 124 (3), 2113-2119, 2020 | 21 | 2020 |
| Tuning of Structure Evolution and Electronic Properties through Palladium-Doped Boron Clusters: PdB16 as a Motif for Boron-Based Nanotubes W Sun, D Kang, B Chen, X Kuang, K Ding, C Lu The Journal of Physical Chemistry A 124 (44), 9187-9193, 2020 | 19 | 2020 |
