Revealing catalytic oxidation mechanism of CO on a-Fe2O3 surface: An ab initio thermodynamic study DOI
Yan Song,

Yun-Hyok Kye,

Meng Pang

и другие.

Physical Chemistry Chemical Physics, Год журнала: 2024, Номер unknown

Опубликована: Дек. 23, 2024

We investigated the phase diagram of Fe 2 O 3 (0001) surfaces with various terminations and catalytic mechanism CO oxidation on these using an ab initio thermodynamic method within density functional theory framework.

Язык: Английский

Structural control over single-crystalline oxides for heterogeneous catalysis DOI
Seok‐Jin Kim, Raghu V. Maligal‐Ganesh, Javeed Mahmood

и другие.

Nature Reviews Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Апрель 28, 2025

Язык: Английский

Процитировано

0
A Multitechnique Study of C2H4 Adsorption on a Model Single-Atom Rh1 Catalyst DOI Creative Commons
Chunlei Wang, Panukorn Sombut,

Lena Puntscher

и другие.

The Journal of Physical Chemistry C, Год журнала: 2024, Номер 128(37), С. 15404 - 15411

Опубликована: Сен. 5, 2024

Single-atom catalysts are potentially ideal model systems to investigate structure-function relationships in catalysis if the active sites can be uniquely determined. In this work, we study interaction of C

Язык: Английский

Процитировано

1
Revealing catalytic oxidation mechanism of CO on a-Fe2O3 surface: An ab initio thermodynamic study DOI
Yan Song,

Yun-Hyok Kye,

Meng Pang

и другие.

Physical Chemistry Chemical Physics, Год журнала: 2024, Номер unknown

Опубликована: Дек. 23, 2024

We investigated the phase diagram of Fe 2 O 3 (0001) surfaces with various terminations and catalytic mechanism CO oxidation on these using an ab initio thermodynamic method within density functional theory framework.

Язык: Английский

Процитировано

0