Nick Gerrits onbezoldigd medewerker

Publicaties Nick Gerrits

Improving molecule–metal surface reaction networks using the meta-generalized gradient approximation : CO₂ hydrogenation

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The journal of physical chemistry: C : nanomaterials and interfaces - ISSN 1932-7447-128:21 (2024) p. 8611-8620
Auteur(s)

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

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The journal of physical chemistry letters - ISSN 1948-7185-15:9 (2024) p. 2566-2572
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Enhanced NH₃ synthesis from air in a plasma tandem- electrocatalysis system using plasma-engraved N-doped defective MoS₂

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JACS Au - ISSN 2691-3704-3:5 (2023) p. 1328-1336
Auteur(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

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The journal of physical chemistry: C : nanomaterials and interfaces - ISSN 1932-7447-127:11 (2023) p. 5395-5407
Auteur(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

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