Publications of Yanggang Wang

Journal Article (4)

2022
Journal Article
Mazheika, A., Y. Wang, R. Valero, F. Viñes, F. Illas, L.M. Ghiringhelli, S.V. Levchenko and M. Scheffler: Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxides. Nature Communications 13, 419 (2022).
2018
Journal Article
Yin, J., B. Wu, Y. Wang, Z. Li, Y. Yao, Y. Jiang, Y. Ding, F. Xu and P. Zhang: Novel elastic, lattice dynamics and thermodynamic properties of metallic single-layer transition metal phosphides: 2H-M2P (Mo2P, W2P, Nb2P and Ta2P). Journal of Physics: Condensed Matter 30 (13), 135701 (2018).
2017
Journal Article
Han, Z.-K., Y. Wang and Y. Gao: Catalytic role of vacancy diffusion in ceria supported atomic gold catalyst. Chemical Communications 53 (65), 9125–9128 (2017).
Journal Article
Xu, C.-Q., M.-S. Lee, Y. Wang, D.C. Cantu, J. Li, V.-A. Glezakou and R. Rousseau: Structural Rearrangement of Au−Pd Nanoparticles under Reaction Conditions: An ab Initio Molecular Dynamics Study. ACS Nano 11 (2), 1649–1658 (2017).

Working Paper (1)

2019
Working Paper
Mazheika, A., Y. Wang, R. Valero, L.M. Ghiringhelli, F. Vines, F. Illas, S.V. Levchenko and M. Scheffler: Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces., in press.
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