| Structural and electronic properties of medium-sized beryllium doped magnesium BeMgn clusters and their anions Y Zhao, Y Xu, P Chen, Y Yuan, Y Qian, Q Li Results in physics 26, 104341, 2021 | 77 | 2021 |
| A single-molecule diode with significant rectification and negative differential resistance behavior B Cui, Y Xu, G Ji, H Wang, W Zhao, Y Zhai, D Li, D Liu Organic Electronics 15 (2), 484-490, 2014 | 35 | 2014 |
| Gated electronic currents modulation and designs of logic gates with single molecular field effect transistors Y Xu, C Fang, B Cui, G Ji, Y Zhai, D Liu Applied Physics Letters 99 (4), 2011 | 33 | 2011 |
| Electronic transport properties of carbon chains between Au and Ag electrodes: A first-principles study C Fang, B Cui, Y Xu, G Ji, D Liu, S Xie Physics Letters A 375 (41), 3618-3623, 2011 | 27 | 2011 |
| Review of computer simulations of isotope effects on biochemical reactions: From the Bigeleisen equation to Feynman's path integral KY Wong, Y Xu, L Xu Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1854 (11), 1782-1794, 2015 | 25 | 2015 |
| Ab initio path‐integral calculations of kinetic and equilibrium isotope effects on base‐catalyzed RNA transphosphorylation models KY Wong, Y Xu, DM York Journal of computational chemistry 35 (17), 1302-1316, 2014 | 18 | 2014 |
| Novel 2D B2S3 as a metal-free photocatalyst for water splitting X Li, B Cui, W Zhao, Y Xu, D Zou, C Yang Nanotechnology 32 (22), 225401, 2021 | 16 | 2021 |
| Effect of contact interface configuration on electronic transport in (C20) 2-based molecular junctions G Ji, D Li, C Fang, Y Xu, Y Zhai, B Cui, D Liu Physics Letters A 376 (5), 773-778, 2012 | 14 | 2012 |
| The electronic transport properties in C60 molecular devices with different contact distances G Ji, Y Zhai, C Fang, Y Xu, B Cui, D Liu Physics Letters A 375 (14), 1602-1607, 2011 | 14 | 2011 |
| Enhanced rectifying performance by asymmetrical gate voltage for BDC 20 molecular devices G Ji, B Cui, Y Xu, C Fang, W Zhao, D Li, D Liu RSC Advances 4 (32), 16537-16544, 2014 | 12 | 2014 |
| Electrostatic current switching and negative differential resistance behavior in a molecular device based on carbon nanotubes Y Xu, C Fang, G Ji, W Du, D Li, D Liu Physical Chemistry Chemical Physics 14 (2), 668-674, 2012 | 12 | 2012 |
| Iridium (III) complexes with 1-phenylisoquinoline-4-carbonitrile units for efficient NIR organic light-emitting diodes H Zhang, Y Xu, Z Chen, S Chen, R Liu, WY Wong Iscience 24 (8), 2021 | 11 | 2021 |
| High Performance NIR OLEDs with Emission Peak Beyond 760 nm and Maximum EQE of 6.39% H Zhang, Z Chen, L Zhu, Y Wu, Y Xu, S Chen, WY Wong Advanced Optical Materials 10 (17), 2200111, 2022 | 10 | 2022 |
| Effect of different electrodes on Fano resonance in molecular devices C Fang, D Li, B Cui, Y Xu, G Ji, D Liu Applied Physics Letters 100 (2), 2012 | 8 | 2012 |
| A Single‐Molecule and Logic Gate via Optical and Acid–Base Control W Zhao, D Zou, Z Sun, Y Xu, G Ji, X Li, C Yang Advanced Theory and Simulations 3 (10), 2000163, 2020 | 7 | 2020 |
| Electronic transport properties of a dithienylethene-based polymer with different metallic contacts J Zhao, W Zhao, B Cui, C Fang, Y Xu, X Kong, D Li, D Liu RSC Advances 4 (77), 40941-40950, 2014 | 7 | 2014 |
| Effect of the orientation of nitro group on the electronic transport properties in single molecular field-effect transistors Y Xu, B Cui, G Ji, D Li, D Liu Physical Chemistry Chemical Physics 15 (3), 832-836, 2013 | 6 | 2013 |
| Rectifying behaviors of an Au/(C 20) 2/Au molecular device induced by the different positions of gate voltage G Ji, Y Xu, B Cui, C Fang, X Kong, D Li, D Liu RSC advances 2 (30), 11349-11353, 2012 | 4 | 2012 |
| Spin logic gates operated by protonation and magnetism in molecular combinational circuits W Zhao, D Zou, Z Sun, Y Xu, G Ji, Y Yu, C Yang Advanced Theory and Simulations 2 (6), 1900057, 2019 | 3 | 2019 |
| Practical approach for beryllium atomic clusters: TD-DFT potential energy surfaces from equilibrium to dissociation for excited states of 2s → 2p L Xu, Y Xu, NH Cheung, KY Wong Theoretical Chemistry Accounts 137 (10), 132, 2018 | 3 | 2018 |
