Dynamical Pathways for the Interaction of O 2 , H 2 O, CH 4 , and CO 2 with α ‐Alumina Surfaces: Density‐Functional Tight‐Binding Calculations

F. Javier Domínguez‐Gutiérrez; Amil Aligayev; Wenyi Huo; Muralidhar Chourashiya; Qinqin Xu; Stefanos Papanikolaou

doi:10.1002/pssb.202200567

Dynamical Pathways for the Interaction of O ₂ , H ₂ O, CH ₄ , and CO ₂ with α ‐Alumina Surfaces: Density‐Functional Tight‐Binding Calculations

F. Javier Domínguez‐Gutiérrez^*, Amil Aligayev, Wenyi Huo, Muralidhar Chourashiya, Qinqin Xu, Stefanos Papanikolaou

^*Corresponding author for this work

Materials Science and Engineering

Research output: Contribution to journal › Article

Original language	English
Journal	Physica Status Solidi (B): Basic Research
DOIs	https://doi.org/10.1002/pssb.202200567
State	Published - 22 Mar 2023

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10.1002/pssb.202200567

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title = "Dynamical Pathways for the Interaction of O 2 , H 2 O, CH 4 , and CO 2 with α ‐Alumina Surfaces: Density‐Functional Tight‐Binding Calculations",

author = "Dom{\'i}nguez‐Guti{\'e}rrez, {F. Javier} and Amil Aligayev and Wenyi Huo and Muralidhar Chourashiya and Qinqin Xu and Stefanos Papanikolaou",

year = "2023",

month = mar,

day = "22",

doi = "10.1002/pssb.202200567",

language = "英语",

journal = "Physica Status Solidi (B): Basic Research",

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publisher = "Wiley-VCH Verlag",

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TY - JOUR

T1 - Dynamical Pathways for the Interaction of O 2 , H 2 O, CH 4 , and CO 2 with α ‐Alumina Surfaces: Density‐Functional Tight‐Binding Calculations

AU - Domínguez‐Gutiérrez, F. Javier

AU - Aligayev, Amil

AU - Huo, Wenyi

AU - Chourashiya, Muralidhar

AU - Xu, Qinqin

AU - Papanikolaou, Stefanos

PY - 2023/3/22

Y1 - 2023/3/22

U2 - 10.1002/pssb.202200567

DO - 10.1002/pssb.202200567

M3 - 文章

SN - 0370-1972

JO - Physica Status Solidi (B): Basic Research

JF - Physica Status Solidi (B): Basic Research

ER -