| Hydrogen Storage on Metal-Coated B80 Buckyballs with Density Functional Theory G Wu, J Wang, X Zhang, L Zhu The Journal of Physical Chemistry C 113 (17), 7052-7057, 2009 | 157 | 2009 |
| Charge separation and exciton dynamics at polymer/ZnO interface from first-principles simulations G Wu, Z Li, X Zhang, G Lu The Journal of Physical Chemistry Letters 5 (15), 2649-2656, 2014 | 58 | 2014 |
| Tuning the vertical location of helical surface states in topological insulator heterostructures via dual-proximity effects G Wu, H Chen, Y Sun, X Li, P Cui, C Franchini, J Wang, XQ Chen, ... Scientific Reports 3 (1), 1233, 2013 | 55 | 2013 |
| Competition between Eley–Rideal and Langmuir–Hinshelwood Pathways of CO Oxidation on Cun and CunO (n = 6, 7) Clusters Y Wang, G Wu, M Yang, J Wang The Journal of Physical Chemistry C 117 (17), 8767-8773, 2013 | 35 | 2013 |
| Density Functional Theory Study of the Interaction of Carbon Monoxide with Bimetallic Co− Mn Clusters J Du, G Wu, J Wang The Journal of Physical Chemistry A 114 (39), 10508-10514, 2010 | 30 | 2010 |
| Comparative DFT study of N2 and no adsorption on vanadium clusters Vn (n = 2–13) G Wu, M Yang, X Guo, J Wang Journal of Computational Chemistry 33 (23), 1854-1861, 2012 | 27 | 2012 |
| Nitrogen-decorated borophene: An empowering contestant for hydrogen storage BA Baraiya, NN Som, V Mankad, G Wu, J Wang, PK Jha Applied Surface Science 527, 146852, 2020 | 26 | 2020 |
| Spin-Dependent Conductance in Co/C60/Co/Ni Single-Molecule Junctions in the Contact Regime X Fei, G Wu, V Lopez, G Lu, HJ Gao, L Gao The Journal of Physical Chemistry C 119 (21), 11975-11981, 2015 | 25 | 2015 |
| Proximity effects in topological insulator heterostructures XG Li, GF Zhang, GF Wu, H Chen, D Culcer, ZY Zhang Chinese Physics B 22 (9), 097306, 2013 | 24 | 2013 |
| Density functional study of CO adsorption on Scn (n= 2–13) clusters G Wu, J Wang, Y Lu, M Yang The Journal of chemical physics 128 (22), 2008 | 24 | 2008 |
| Ab initio study of the structure and magnetism of atomic oxygen adsorbed Sc n (n= 2–14) clusters J Wang, Y Wang, G Wu, X Zhang, X Zhao, M Yang Physical Chemistry Chemical Physics 11 (28), 5980-5985, 2009 | 20 | 2009 |
| Suppressing photoexcited electron–hole recombination in MoSe 2/WSe 2 lateral heterostructures via interface-coupled state engineering: a time-domain ab initio study Z Zhou, Y Zhang, X Zhang, X Niu, G Wu, J Wang Journal of Materials Chemistry A 8 (39), 20621-20628, 2020 | 19 | 2020 |
| Interlayer coupling prolonged the photogenerated carrier lifetime of few layered Bi 2 OS 2 semiconductors X Niu, G Wu, X Zhang, J Wang Nanoscale 12 (10), 6057-6063, 2020 | 18 | 2020 |
| First-principles investigations on the magnetic property in tripotassium doped picene GH Zhong, C Zhang, GF Wu, ZB Huang, XJ Chen, HQ Lin Journal of Applied Physics 113 (17), 2013 | 16 | 2013 |
| Comparative ab Initio Study of CO Adsorption on Scn and ScnO (n = 2–13) Clusters Y Wang, G Wu, J Du, M Yang, J Wang The Journal of Physical Chemistry A 116 (1), 93-97, 2012 | 14 | 2012 |
| Superconductivity in GeH4 (H2) 2 above 220 GPa high-pressure G Zhong, C Zhang, G Wu, J Song, Z Liu, C Yang Physica B: Condensed Matter 410, 90-92, 2013 | 13 | 2013 |
| Quantum phase transitions and topological proximity effects in graphene nanoribbon heterostructures G Zhang, X Li, G Wu, J Wang, D Culcer, E Kaxiras, Z Zhang Nanoscale 6 (6), 3259-3267, 2014 | 12 | 2014 |
| Controlling cross section of carbon nanotubes via selective hydrogenation G Wu, J Wang, XC Zeng, H Hu, F Ding The Journal of Physical Chemistry C 114 (27), 11753-11757, 2010 | 6 | 2010 |
| Single element non-compensate np codoped CuAlSe2 as candidate materials for intermediateband solar cells X Li, G Wu, G Zhong, W Li, G Lu, C Yang, X Xiao, Z Zhang | 1 | 2015 |
| Shift of infrared vibrational spectra and H2O activation on PtCu alloy clusters Y Wang, X Zhang, G Wu AIP Advances 10 (8), 2020 | | 2020 |
