Fundamental understanding of support effects and metal–support interaction is critical in heterogeneous catalysis. In this work, theoretical investigations are carried out to study the nature of support effects of different tetravalent-metal dioxides of MO<sub>2</sub> (M = Ti, Zr, Ce, Hf, Th) in single-atom gold catalysts using density functional theory with on-site Coulomb interactions (DFT+U). The properties of gold adatom on the stoichiometric (MO<sub>2</sub>) and reduced (MO<sub>2–<i>x</i></sub>) surfaces as well as CO adsorption on Au<sub>1</sub>/MO<sub>2</sub> and Au<sub>1</sub>/MO<sub>2–<i>x</i></sub> have been investigated systematically. Our calculations indicate that the fundamental <i>quantum primogenic effect</i> that causes the...
FTIR absorption spectra of CO, of 12CO–13CO isotopic mixtures and of CO–18O2 interaction on gold cat...
Understanding how the local environment of a "single-atom" catalyst affects stability and reactivity...
FTIR absorption spectra of CO, of 12CO–13CO isotopic mixtures and of CO–18O2 interaction on gold cat...
Au based catalysts have been extensively studied since Masatake Haruta in Japan discovered that smal...
Distinctions between supported Au and Pt catalysts on TiO<sub>2</sub>(110) for CO oxidation have bee...
We address the question of the nature of Au NP activation and through a combination of experimental ...
We address the question of the nature of Au NP activation and through a combination of experimental ...
We report a systematic comparative dispersion-corrected DFT study of single (K, Au, and Pt) atom ads...
We address the question of the nature of Au NP activation and through a combination of experimental ...
STM conductance spectroscopy and mapping has been used to analyze the impact of molecular adsorption...
STM conductance spectroscopy and mapping has been used to analyze the impact of molecular adsorption...
The molecular adsorption and CO oxidation on a gold-deposited TiO₂ catalyst were investigated by mea...
We address the question of the nature of Au NP activation and through a combination of experimental ...
The metal-support interaction (MSI) plays an essential role in the catalysis by gold. We summarized ...
FTIR absorption spectra of CO, of 12CO–13CO isotopic mixtures and of CO–18O2 interaction on gold cat...
FTIR absorption spectra of CO, of 12CO–13CO isotopic mixtures and of CO–18O2 interaction on gold cat...
Understanding how the local environment of a "single-atom" catalyst affects stability and reactivity...
FTIR absorption spectra of CO, of 12CO–13CO isotopic mixtures and of CO–18O2 interaction on gold cat...
Au based catalysts have been extensively studied since Masatake Haruta in Japan discovered that smal...
Distinctions between supported Au and Pt catalysts on TiO<sub>2</sub>(110) for CO oxidation have bee...
We address the question of the nature of Au NP activation and through a combination of experimental ...
We address the question of the nature of Au NP activation and through a combination of experimental ...
We report a systematic comparative dispersion-corrected DFT study of single (K, Au, and Pt) atom ads...
We address the question of the nature of Au NP activation and through a combination of experimental ...
STM conductance spectroscopy and mapping has been used to analyze the impact of molecular adsorption...
STM conductance spectroscopy and mapping has been used to analyze the impact of molecular adsorption...
The molecular adsorption and CO oxidation on a gold-deposited TiO₂ catalyst were investigated by mea...
We address the question of the nature of Au NP activation and through a combination of experimental ...
The metal-support interaction (MSI) plays an essential role in the catalysis by gold. We summarized ...
FTIR absorption spectra of CO, of 12CO–13CO isotopic mixtures and of CO–18O2 interaction on gold cat...
FTIR absorption spectra of CO, of 12CO–13CO isotopic mixtures and of CO–18O2 interaction on gold cat...
Understanding how the local environment of a "single-atom" catalyst affects stability and reactivity...
FTIR absorption spectra of CO, of 12CO–13CO isotopic mixtures and of CO–18O2 interaction on gold cat...