Efficient Screening of Metal Promoters of Pt Catalysts for C–H Bond Activation in Propane Dehydrogenation from a Combined First-Principles Calculations and Machine-Learning Study

por Zhou, Nuodan, Liu, Wen, Jan, Faheem, Han, ZhongKang, Li, Bo
Publicado 2023

The Structure of Oxygen Vacancies in the Near-Surface of Reduced CeO(2) (111) Under Strain

por Han, Zhong-Kang, Zhang, Lei, Liu, Meilin, Ganduglia-Pirovano, Maria Verónica, Gao, Yi
Publicado 2019

Corrigendum: The Structure of Oxygen Vacancies in the Near-Surface of Reduced CeO(2) (111) Under Strain

por Han, Zhong-Kang, Zhang, Lei, Liu, Meilin, Ganduglia-Pirovano, Maria Verónica, Gao, Yi
Publicado 2019

Single-atom alloy catalysts designed by first-principles calculations and artificial intelligence

por Han, Zhong-Kang, Sarker, Debalaya, Ouyang, Runhai, Mazheika, Aliaksei, Gao, Yi, Levchenko, Sergey V.
Publicado 2021

Water‐Assisted Homolytic Dissociation of Propyne on a Reduced Ceria Surface

por Zhong, Jian‐Qiang, Han, Zhong‐Kang, Werner, Kristin, Li, Xiao‐Yan, Gao, Yi, Shaikhutdinov, Shamil, Freund, Hans‐Joachim
Publicado 2020

Coherent vibrational dynamics reveals lattice anharmonicity in organic–inorganic halide perovskite nanocrystals

por Debnath, Tushar, Sarker, Debalaya, Huang, He, Han, Zhong-Kang, Dey, Amrita, Polavarapu, Lakshminarayana, Levchenko, Sergey V., Feldmann, Jochen
Publicado 2021

Crystallographic Orientation Dependence of Surface Segregation and Alloying on PdCu Catalysts for CO(2) Hydrogenation

por Pielsticker, Lukas, Zegkinoglou, Ioannis, Han, Zhong-Kang, Navarro, Juan J., Kunze, Sebastian, Karslıoğlu, Osman, Levchenko, Sergey V., Roldan Cuenya, Beatriz
Publicado 2021

Surface Segregation in CuNi Nanoparticle Catalysts During CO(2) Hydrogenation: The Role of CO in the Reactant Mixture

por Zegkinoglou, Ioannis, Pielsticker, Lukas, Han, Zhong-Kang, Divins, Nuria J., Kordus, David, Chen, Yen-Ting, Escudero, Carlos, Pérez-Dieste, Virginia, Zhu, Beien, Gao, Yi, Cuenya, Beatriz Roldan
Publicado 2019