Understanding the roles of copper dopant and oxygen vacancy in promoting nitrogen oxides removal over iron-based catalyst surface: a collaborative experimental and first-principles study

Journal of Colloid and Interface Science ◽

10.1016/j.jcis.2021.12.102 ◽

2021 ◽

Author(s):

Chaoyue Xie ◽

Baozhong Zhu ◽

Yunlan Sun ◽

Fan Li ◽

Weiyi Song

Keyword(s):

Nitrogen Oxides ◽

Oxygen Vacancy ◽

First Principles ◽

Catalyst Surface ◽

First Principles Study ◽

Iron Based

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First-principles study of the transition metal-doped iron-based superconductor AFe2As2 (A = Ba, Sr)

Journal of Materials Science ◽

10.1007/s10853-021-06342-x ◽

2021 ◽

Author(s):

Li Li ◽

Jiajun Wang ◽

Yao Liang ◽

Yan Cui ◽

Hualong Tao ◽

...

Keyword(s):

Transition Metal ◽

First Principles ◽

First Principles Study ◽

Iron Based ◽

Metal Doped

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First-principles study of Ca–Fe–Pt–As-type iron-based superconductors

Physica C Superconductivity ◽

10.1016/j.physc.2012.02.023 ◽

2013 ◽

Vol 484 ◽

pp. 39-42 ◽

Cited By ~ 9

Author(s):

Hiroki Nakamura ◽

Masahiko Machida

Keyword(s):

First Principles ◽

Iron Based Superconductors ◽

First Principles Study ◽

Iron Based

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First-Principles Study of Antimony Doping Effects on the Iron-Based Superconductor CaFe(SbxAs1−x)2

Journal of the Physical Society of Japan ◽

10.7566/jpsj.84.093702 ◽

2015 ◽

Vol 84 (9) ◽

pp. 093702 ◽

Cited By ~ 5

Author(s):

Yuki Nagai ◽

Hiroki Nakamura ◽

Masahiko Machida ◽

Kazuhiko Kuroki

Keyword(s):

First Principles ◽

First Principles Study ◽

Doping Effects ◽

Antimony Doping ◽

Iron Based

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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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Mechanistic roles of catalyst surface coating in nitrobenzene selective reduction: A first-principles study

Applied Catalysis B Environmental ◽

10.1016/j.apcatb.2018.05.015 ◽

2018 ◽

Vol 236 ◽

pp. 509-517 ◽

Cited By ~ 10

Author(s):

Li Gong ◽

Yang Mu ◽

Michael J. Janik

Keyword(s):

First Principles ◽

Surface Coating ◽

Catalyst Surface ◽

Selective Reduction ◽

First Principles Study

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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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