Theoretical insight into vibrational spectra of metal-water interfaces from density functional theory based molecular dynamics

Le, JiaboFan, QiyuanPerez-Martinez, LauraCuesta Ciscar, AngelCheng, Jun2019-04-082019-04-082018Le, J, Fan, Q, Perez-Martinez, L, Cuesta Ciscar, A & Cheng, J 2018, 'Theoretical insight into vibrational spectra of metal-water interfaces from density functional theory based molecular dynamics', Physical Chemistry Chemical Physics, vol. 20, no. 17, pp. 11554-11558. https://doi.org/10.1039/C8CP00615F1463-9076ORCID: /0000-0003-4243-1848/work/47846888http://hdl.handle.net/2164/12149Acknowledgements J. C. is grateful for funding support from the National Natural Science Foundation of China (Grants No. 21373166 and 21621091), and the Thousand Youth Talents Program of China.57798408engSelfOwnershipChoiceLearningMemoryEducationQD ChemistryQDTheoretical insight into vibrational spectra of metal-water interfaces from density functional theory based molecular dynamicsJournal article10.1039/C8CP00615F2017