Density functional study on formic acid decomposition on Pd(111) surface: a revisit and comparison with other density functional methods

Wang, N; Li, K; Wang, Y; Wu, ZJ

Wang, Y; Wu, ZJ (corresponding author), Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Rare Earth Resource Utilizat, Changchun 130022, Peoples R China.; Wu, ZJ (corresponding author), Univ Sci & Technol China, Hefei 230026, Peoples R China.

JOURNAL OF MOLECULAR MODELING, 2021; 27 (10):

Abstract

The mechanism of formic acid decomposition on the Pd(111) surface has been investigated by several theoretical methods in previous studies, including ......

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