Influences of Ca Doping and Oxygen Vacancy upon Adsorption of CO on the LaFeO3 (010) Surface: A First-Principles Study

Lihui Sun; Jifan Hu; Hongwei Qin; Ming Zhao; Kai Fan

doi:10.1021/jp107038z

Influences of Ca Doping and Oxygen Vacancy upon Adsorption of CO on the LaFeO3 (010) Surface: A First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/jp107038z ◽

2011 ◽

Vol 115 (13) ◽

pp. 5593-5598 ◽

Cited By ~ 23

Author(s):

Lihui Sun ◽

Jifan Hu ◽

Hongwei Qin ◽

Ming Zhao ◽

Kai Fan

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

Ca Doping ◽

First Principles Study ◽

Adsorption Of Co

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Oxygen vacancy in LiTiPO5 and LiTi2(PO4)3: A first-principles study

Physics Letters A ◽

10.1016/j.physleta.2010.12.063 ◽

2011 ◽

Vol 375 (5) ◽

pp. 934-938 ◽

Cited By ~ 20

Author(s):

Li-Juan Chen ◽

Yu-Jun Zhao ◽

Jia-Yan Luo ◽

Yong-Yao Xia

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

First Principles Study

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Effects and mechanism of (Be/Mg/Ca) doping and point defects (VZn, Hi) on the p-type conductivity of ZnO: A first-principles study

Solid State Communications ◽

10.1016/j.ssc.2022.114653 ◽

2022 ◽

pp. 114653

Author(s):

Mude Qi ◽

Qingyu Hou ◽

Yong Li ◽

Yulan Gu ◽

Airong Yang

Keyword(s):

Point Defects ◽

First Principles ◽

Type Conductivity ◽

Ca Doping ◽

First Principles Study ◽

P Type

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Role of Lattice Strain and Defect Chemistry on the Oxygen Vacancy Migration at the (8% Y2O3-ZrO2) / SrTiO3 Hetero-Interface: A First Principles Study

ECS Meeting Abstracts ◽

10.1149/ma2009-02/12/1311 ◽

2009 ◽

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

Lattice Strain ◽

Defect Chemistry ◽

First Principles Study ◽

Vacancy Migration

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A first-principles study of oxygen vacancy induced changes in structural, electronic and magnetic properties of La2/3Sr1/3MnO3

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2015.07.112 ◽

2015 ◽

Vol 649 ◽

pp. 973-980 ◽

Cited By ~ 13

Author(s):

Jia Li ◽

Lizhong Sun ◽

Prathamesh M. Shenai ◽

Junling Wang ◽

Hang Zheng ◽

...

Keyword(s):

Magnetic Properties ◽

Oxygen Vacancy ◽

First Principles ◽

Electronic And Magnetic Properties ◽

First Principles Study ◽

Induced Changes

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First principles study of oxygen vacancy migration in tantalum pentoxide

Journal of Applied Physics ◽

10.1063/1.1637132 ◽

2004 ◽

Vol 95 (3) ◽

pp. 954-957 ◽

Cited By ~ 23

Author(s):

R. Ramprasad

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

Tantalum Pentoxide ◽

First Principles Study ◽

Vacancy Migration

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First-principles study of structural and electronic properties ofBaTiO3(001)oxygen-vacancy surfaces

Physical Review B ◽

10.1103/physrevb.72.075406 ◽

2005 ◽

Vol 72 (7) ◽

Cited By ~ 37

Author(s):

Meng-Qiu Cai ◽

Yong-Jun Zhang ◽

Zhen Yin ◽

Ming-Sheng Zhang

Keyword(s):

Oxygen Vacancy ◽

Electronic Properties ◽

First Principles ◽

First Principles Study ◽

Structural And Electronic Properties

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First-principles study of oxygen-vacancy pinning of domain walls inPbTiO3

Physical Review B ◽

10.1103/physrevb.68.134103 ◽

2003 ◽

Vol 68 (13) ◽

Cited By ~ 199

Author(s):

Lixin He ◽

David Vanderbilt

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

Domain Walls ◽

First Principles Study ◽

Pinning Of Domain Walls

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First principles study of oxygen vacancy defects in tantalum pentoxide

Journal of Applied Physics ◽

10.1063/1.1615700 ◽

2003 ◽

Vol 94 (9) ◽

pp. 5609-5612 ◽

Cited By ~ 80

Author(s):

R. Ramprasad

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

Tantalum Pentoxide ◽

Vacancy Defects ◽

First Principles Study

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Adsorption of CO molecules on doped graphene: A first-principles study

AIP Advances ◽

10.1063/1.4942491 ◽

2016 ◽

Vol 6 (2) ◽

pp. 025317 ◽

Cited By ~ 27

Author(s):

Weidong Wang ◽

Yuxiang Zhang ◽

Cuili Shen ◽

Yang Chai

Keyword(s):

First Principles ◽

First Principles Study ◽

Doped Graphene ◽

Adsorption Of Co

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Tuning Adsorption and Catalytic Properties of α-Cr2O3 and ZnO in Propane Dehydrogenation by Creating Oxygen Vacancy and Doping Single Pt Atom: A Comparative First-Principles Study

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.9b01143 ◽

2019 ◽

Vol 58 (24) ◽

pp. 10199-10209 ◽

Cited By ~ 10

Author(s):

Qing-Yu Chang ◽

Qiang Yin ◽

Fang Ma ◽

Yi-An Zhu ◽

Zhi-Jun Sui ◽

...

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

Catalytic Properties ◽

Propane Dehydrogenation ◽

First Principles Study

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