First-principles study of bulk and surface oxygen vacancies in SrTiO3 crystal

The tritium migration mechanism in Li2O is that the bred tritium is firstly trapped by oxygen vacancies, the tritium detrapped from oxygen vacancies subsequently forms tritium substituents, which then migrate by hopping along the lithium lattice.

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Bridging or in-Plane Oxygen Vacancies for a High-Performance Chemoresistive Gas Sensors? a First-Principles Study

ECS Meeting Abstracts ◽

10.1149/ma2020-01282111mtgabs ◽

2020 ◽

Vol MA2020-01 (28) ◽

pp. 2111-2111

Author(s):

Soufiane Krik ◽

Andrea Gaiardo ◽

Matteo Valt ◽

Barbara Fabbri ◽

Cesare Malagù ◽

...

Keyword(s):

Gas Sensors ◽

First Principles ◽

High Performance ◽

Oxygen Vacancies ◽

First Principles Study

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Influence of oxygen vacancies on the spontaneous polarisation and piezoelectricity of ZnO: a first-principles study

International Journal of Nanomanufacturing ◽

10.1504/ijnm.2019.102696 ◽

2019 ◽

Vol 15 (4) ◽

pp. 369

Author(s):

Haibo Niu ◽

Guangde Chen ◽

Youzhang Zhu ◽

Yelong Wu ◽

Honggang Ye

Keyword(s):

First Principles ◽

Oxygen Vacancies ◽

First Principles Study ◽

Spontaneous Polarisation

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First-principles study for the atomic structures and electronic properties of PbTiO3 oxygen-vacancies (001) surface

Surface Science ◽

10.1016/j.susc.2007.08.026 ◽

2007 ◽

Vol 601 (23) ◽

pp. 5412-5418 ◽

Cited By ~ 6

Author(s):

Meng-Qiu Cai ◽

Chun-Hong Tang ◽

Xin Tan ◽

Hui-Qiu Deng ◽

Wang-Yu Hu ◽

...

Keyword(s):

Electronic Properties ◽

First Principles ◽

Oxygen Vacancies ◽

Atomic Structures ◽

First Principles Study

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Ambivalent Effect of Oxygen Vacancies on Li2MnO3: A First-Principles Study

Journal of The Electrochemical Society ◽

10.1149/2.079202jes ◽

2011 ◽

Vol 159 (2) ◽

pp. A152-A157 ◽

Cited By ~ 71

Author(s):

Yasuharu Okamoto

Keyword(s):

First Principles ◽

Oxygen Vacancies ◽

First Principles Study ◽

Effect Of Oxygen

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A first-principles study of CO oxidation by surface oxygen on Pt-incorporated perovskite catalyst (CaPtxTi1−xO3)

RSC Advances ◽

10.1039/c4ra00084f ◽

2014 ◽

Vol 4 (58) ◽

pp. 30530-30535 ◽

Cited By ~ 3

Author(s):

Qiuju Zhang ◽

Baihai Li ◽

Houyuan Wang ◽

Yange Suo ◽

Liang Chen

Keyword(s):

Co Oxidation ◽

First Principles ◽

Catalytic Properties ◽

Prototype System ◽

Surface Oxygen ◽

First Principles Calculations ◽

Perovskite Catalyst ◽

First Principles Study

In the present work, we investigated the structural and catalytic properties of a prototype system Pt-doped CaTiO3 by means of first principles calculations.

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