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Publications Nick Gerrits

Accurate reaction probabilities for translational energies on both sides of the barrier of dissociative chemisorption on metal surfaces

Source
The journal of physical chemistry letters - ISSN 1948-7185-15:9 (2024) p. 2566-2572
Author(s)

Enhanced NH₃ synthesis from air in a plasma tandem- electrocatalysis system using plasma-engraved N-doped defective MoS₂

Source
JACS Au - ISSN 2691-3704-3:5 (2023) p. 1328-1336
Author(s)
    Jiageng Zheng, Hao Zhang, Jiabao Lv, Meng Zhang, Jieying Wan, Nick Gerrits, Angjian Wu, Bingru Lan, Weitao Wang, Shuangyin Wang, Xin Tu, Annemie Bogaerts, Xiaodong Li

Simulating highly activated sticking of H₂ on Al(110) : quantum versus quasi-classical dynamics

Source
The journal of physical chemistry: C : nanomaterials and interfaces - ISSN 1932-7447-127:11 (2023) p. 5395-5407
Author(s)
    Theophile Tchakoua, Andrew D. Powell, Nick Gerrits, Mark F. Somers, Katharina Doblhoff-Dier, Heriberto F. Busnengo, Geert-Jan Kroes

SBH17 : benchmark database of barrier heights for dissociative chemisorption on transition metal surfaces

Source
Journal of chemical theory and computation - ISSN 1549-9618-19:1 (2023) p. 245-270
Author(s)

Accurate simulations of the reaction of H₂ on a curved Pt crystal through machine learning

Source
The journal of physical chemistry letters - ISSN 1948-7185-12:51 (2021) p. 12157-12164
Author(s)