Spin-polarized DFT calculations of elemental effects on hydrogen atom adsorption on FeCrAl (1 1 0) surface

Li, Xiaojing; Ma, Yu; Zhou, Wenzhong; Liu, Zhao

doi:10.1016/j.apsusc.2021.152273

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“… a Reference . b Reference . c 3-fold site (ref ). d 2F site (ref ). e Reference . f At the 3h 1 site (ref ). g Reference . h d (Å) is the distance of a hydrogen atom from the surface. E ad (eV) is the adsorption energy. …”

Section: Resultsmentioning

confidence: 99%

Atomistic Analysis of the Microbial Influence on the Adsorption Characteristic of Sulfur, Hydrogen, and SO₄on Iron Surfaces

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2023

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Section: Resultsmentioning

confidence: 99%

Atomistic Analysis of the Microbial Influence on the Adsorption Characteristic of Sulfur, Hydrogen, and SO₄on Iron Surfaces

Asif,

Khan,

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2023

Ind. Eng. Chem. Res.

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Spin-polarized DFT calculations of elemental effects on hydrogen atom adsorption on FeCrAl (1 1 0) surface

Cited by 5 publications

References 51 publications

Atomistic Analysis of the Microbial Influence on the Adsorption Characteristic of Sulfur, Hydrogen, and SO₄on Iron Surfaces

Atomistic Analysis of the Microbial Influence on the Adsorption Characteristic of Sulfur, Hydrogen, and SO₄on Iron Surfaces

Mechanisms of Al2O3 and Cr2O3 formation during FeCrAl alloy Oxidation: A First-Principles study

Amide-functionalized g-C3N4 nanosheet for the adsorption of arsenite (As3+): Process optimization, experimental, and density functional theory insight

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Spin-polarized DFT calculations of elemental effects on hydrogen atom adsorption on FeCrAl (1 1 0) surface

Cited by 5 publications

References 51 publications

Atomistic Analysis of the Microbial Influence on the Adsorption Characteristic of Sulfur, Hydrogen, and SO4on Iron Surfaces

Atomistic Analysis of the Microbial Influence on the Adsorption Characteristic of Sulfur, Hydrogen, and SO4on Iron Surfaces

Mechanisms of Al2O3 and Cr2O3 formation during FeCrAl alloy Oxidation: A First-Principles study

Amide-functionalized g-C3N4 nanosheet for the adsorption of arsenite (As3+): Process optimization, experimental, and density functional theory insight

Contact Info

Product

Resources

About

Atomistic Analysis of the Microbial Influence on the Adsorption Characteristic of Sulfur, Hydrogen, and SO₄on Iron Surfaces

Atomistic Analysis of the Microbial Influence on the Adsorption Characteristic of Sulfur, Hydrogen, and SO₄on Iron Surfaces