| Potential molecular semiconductor devices: cyclo-C n (n= 10 and 14) with higher stabilities and aromaticities than acknowledged cyclo-C 18 M Li, Z Gao, Y Han, Y Zhao, K Yuan, S Nagase, M Ehara, X Zhao Physical Chemistry Chemical Physics 22 (8), 4823-4831, 2020 | 39 | 2020 |
| Water Splitting by C60‐Supported Vanadium Single Atoms GL Hou, T Yang, M Li, J Vanbuel, OV Lushchikova, P Ferrari, JM Bakker, ... Angewandte Chemie International Edition 60 (52), 27095-27101, 2021 | 35 | 2021 |
| Sulfonamide as Photoinduced Hydrogen-Atom Transfer Catalyst for Regioselective Alkylation of C(sp3)–H Bonds Adjacent to Heteroatoms ZY Ma, M Li, LN Guo, L Liu, D Wang, XH Duan Organic Letters 23 (2), 474-479, 2020 | 33 | 2020 |
| Theoretical study on the stabilities, electronic structures, and reaction and formation mechanisms of fullerenes and endohedral metallofullerenes M Li, R Zhao, J Dang, X Zhao Coordination Chemistry Reviews 471 (15), 214762, 2022 | 23 | 2022 |
| Expanding the active charge carriers of polymer electrolytes in lithium-based batteries using an anion-hosting cathode Z Sun, K Xi, J Chen, A Abdelkader, MY Li, Y Qin, Y Lin, Q Jiang, YQ Su, ... Nature Communications 13 (1), 3209, 2022 | 22 | 2022 |
| Single Step Stone–Wales Transformation Linking Two Thermodynamically Stable Sc2O@C78 Isomers P Zhao, MY Li, YJ Guo, RS Zhao, X Zhao Inorganic Chemistry 55 (5), 2220-2226, 2016 | 21 | 2016 |
| Insight into two-dimensional borophene: five-center bond and phonon-mediated superconductivity Z Gao, M Li, JS Wang ACS applied materials & interfaces 11 (50), 47279-47288, 2019 | 15 | 2019 |
| Theoretical investigation of the key roles in fullerene-formation mechanisms: Enantiomer and enthalpy MY Li, YX Zhao, YB Han, K Yuan, S Nagase, M Ehara, X Zhao ACS Applied Nano Materials 3 (1), 547-554, 2019 | 14 | 2019 |
| A novel hyperbolic two-dimensional carbon material with an in-plane negative Poisson’s ratio behavior and low-gap semiconductor characteristics M Li, K Yuan, Y Zhao, Z Gao, X Zhao ACS omega 5 (26), 15783-15790, 2020 | 13 | 2020 |
| New Insight into U@C80: Missing U@D3(31921)-C80 and Nuanced Enantiomers of U@C1(28324)-C80 YX Zhao, MY Li, P Zhao, M Ehara, X Zhao Inorganic Chemistry 58 (20), 14159-14166, 2019 | 13 | 2019 |
| In-Depth Theoretical Probe into Novel Mixed-Metal Uranium-Based Endohedral Clusterfullerenes Sc2UX@Ih(31924)-C80 (X = C, N) YX Zhao, K Yuan, MY Li, M Ehara, X Zhao Inorganic Chemistry 58 (16), 10769-10777, 2019 | 13 | 2019 |
| Unveiling the role of C60-supported vanadium single atoms for catalytic overall water splitting M Li, T Yang, JM Bakker, E Janssens, GL Hou Cell Reports Physical Science 3 (6), 2022 | 12 | 2022 |
| An unprecedented C 80 cage that violates the isolated pentagon rule P Yu, M Li, W Shen, S Hu, PY Yu, X Tian, X Zhao, L Bao, X Lu Inorganic Chemistry Frontiers 9 (10), 2264-2270, 2022 | 12 | 2022 |
| Unmasking the Optimal Isomers of Ti2C84: Ti2C2@C82 Instead of Ti2@C84† Y Zhao, M Li, R Zhao, P Zhao, K Yuan, Q Li, X Zhao The Journal of Physical Chemistry C 122 (24), 13148-13155, 2018 | 12 | 2018 |
| Ultralong Near Infrared Room Temperature Phosphorescence in Cu (I) Metal‐Organic Framework Based‐on D–π–A–π–D Linkers Z Wang, JJ Liu, SY Yin, MY Li, YJ Hou, D Wang, JT Mo, G Chen Advanced Functional Materials 33 (16), 2212985, 2023 | 10 | 2023 |
| Anchored atomic tungsten on a B 40 cage: a highly active and selective single-atom catalyst for nitrogen reduction WY Li, YB Sun, MY Li, XY Zhang, X Zhao, JS Dang Physical Chemistry Chemical Physics 23 (3), 2469-2474, 2021 | 10 | 2021 |
| Pivotal Role of Nonmetal Atoms in the Stabilities, Geometries, Electronic Structures, and Isoelectronic Chemistry of Sc3X@C80 (X = C, N, and O) YX Zhao, MY Li, YM Xiong, S Rahmani, K Yuan, RS Zhao, M Ehara, ... Journal of Computational Chemistry 40 (31), 2730-2738, 2019 | 10 | 2019 |
| Insight into the thermodynamically preferred V3N@ Ih (31924)-C80 and acknowledged VxSc3-xN@ Ih (31924)-C80 (x= 0, 1 and 2) M Li, Y Zhao, K Yuan, R Zhao, P Zhao, X Zhao Carbon 132, 312-322, 2018 | 10 | 2018 |
| Theoretical Investigations of Lu2C84: Unexpected Impact of Metal Electronic Configuration toward the Metal–Metal σ-Bond in Fullerene H Zheng, H Dang, Y Zhao, YX Gu, M Li, QZ Li, X Zhao Inorganic Chemistry 59 (14), 10113-10122, 2020 | 9 | 2020 |
| Significant Roles of a Particularly Stable Two-Center Two-Electron Lu–Lu σ Bond in Lu2@C86: Electronic Structure of Lu and Radius of Lu2+ KN Zhang, H Zheng, M Li, QZ Li, Y Zhao, X Zhao Inorganic Chemistry 60 (4), 2425-2436, 2021 | 8 | 2021 |
Masahiro EharaInstitute for Molecular Science, ProfessorVerified email at ims.ac.jp
