Publications of Yanggang Wang

Journal Article (4)

Journal Article
Mazheika, A.; Wang, Y.; Valero, R.; Viñes, F.; Illas, F.; Ghiringhelli, L. M.; Levchenko, S. V.; Scheffler, M.: Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxides. Nature Communications 13, 419 (2022)
Journal Article
Yin, J.; Wu, B.; Wang, Y.; Li, Z.; Yao, Y.; Jiang, Y.; Ding, Y.; Xu, F.; Zhang, P.: 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)
Journal Article
Han, Z.-K.; Wang, Y.; Gao, Y.: Catalytic role of vacancy diffusion in ceria supported atomic gold catalyst. Chemical Communications 53 (65), pp. 9125 - 9128 (2017)
Journal Article
Xu, C.-Q.; Lee, M.-S.; Wang, Y.; Cantu, D. C.; Li, J.; Glezakou, V.-A.; Rousseau, R.: Structural Rearrangement of Au−Pd Nanoparticles under Reaction Conditions: An ab Initio Molecular Dynamics Study. ACS Nano 11 (2), pp. 1649 - 1658 (2017)

Working Paper (1)

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