Accurate Simulations of the Reaction of H(2) on a Curved Pt Crystal through Machine Learning

por Gerrits, Nick
Publicado 2021

Dynamical Study of the Dissociative Chemisorption of CHD(3) on Pd(111)

por Gerrits, Nick, Chadwick, Helen, Kroes, Geert-Jan
Publicado 2019

Highly Efficient Activation of HCl Dissociation on Au(111) via Rotational Preexcitation

por Gerrits, Nick, Geweke, Jan, Auerbach, Daniel J., Beck, Rainer D., Kroes, Geert-Jan
Publicado 2021

Density Functional Theory for Molecule–Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not

por Gerrits, Nick, Smeets, Egidius W. F., Vuckovic, Stefan, Powell, Andrew D., Doblhoff-Dier, Katharina, Kroes, Geert-Jan
Publicado 2020

Correction to “Density Functional Theory for Molecule–Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not”

por Gerrits, Nick, Smeets, Egidius W. F., Vuckovic, Stefan, Powell, Andrew D., Doblhoff-Dier, Katharina, Kroes, Geert-Jan
Publicado 2022

Simulating Highly Activated Sticking of H(2) on Al(110): Quantum versus Quasi-Classical Dynamics

por Tchakoua, Theophile, Powell, Andrew D., Gerrits, Nick, Somers, Mark F., Doblhoff-Dier, Katharina, Busnengo, Heriberto F., Kroes, Geert-Jan
Publicado 2023

Enhanced NH(3) Synthesis from Air in a Plasma Tandem-Electrocatalysis System Using Plasma-Engraved N-Doped Defective MoS(2)

por Zheng, Jiageng, Zhang, Hao, Lv, Jiabao, Zhang, Meng, Wan, Jieying, Gerrits, Nick, Wu, Angjian, Lan, Bingru, Wang, Weitao, Wang, Shuangyin, Tu, Xin, Bogaerts, Annemie, Li, Xiaodong
Publicado 2023