Article, 2024

Benchmarking water adsorption on metal surfaces with ab initio molecular dynamics

JOURNAL OF CHEMICAL PHYSICS, ISSN 0021-9606, Volume 160, 24, 10.1063/5.0205552

Contributors

Xu, Mianle [1] Liu, Sihang 0000-0002-6527-1667 [1] Vijay, S. K. [1] Bligaard, T. 0000-0001-9834-9179 [1] Kastlunger, Georg 0000-0002-3767-8734 (Corresponding author) [1]

Affiliations

  1. [1] Tech Univ Denmark, Dept Phys, Catalysis Theory Ctr, Lyngby, Denmark
  2. [NORA names: DTU Technical University of Denmark; University; Denmark; Europe, EU; Nordic; OECD]

Abstract

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