Reduction in charged defects associated with oxygen vacancies in hafnia by magnesium incorporation: First-principles study

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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Effect of oxygen vacancies on Li-storage of anatase $$\hbox {TiO}_{2}$$ TiO 2 (001) facets: a first principles study

Bulletin of Materials Science ◽

10.1007/s12034-018-1571-9 ◽

2018 ◽

Vol 41 (2) ◽

Author(s):

H Chen ◽

Y H Ding ◽

X Q Tang ◽

W Zhang ◽

J R Yin ◽

...

Keyword(s):

First Principles ◽

Oxygen Vacancies ◽

First Principles Study ◽

Effect Of Oxygen ◽

Li Storage

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Influence of Oxygen Vacancies in Gas Sensors Based on Metal-Oxide Semiconductors: A First-Principles Study

Lecture Notes in Electrical Engineering - Sensors and Microsystems ◽

10.1007/978-3-030-37558-4_47 ◽

2020 ◽

pp. 309-314

Author(s):

Soufiane Krik ◽

Andrea Gaiardo ◽

Matteo Valt ◽

Barbara Fabbri ◽

Cesare Malagù ◽

...

Keyword(s):

Metal Oxide ◽

Gas Sensors ◽

First Principles ◽

Oxygen Vacancies ◽

Metal Oxide Semiconductors ◽

Oxide Semiconductors ◽

First Principles Study

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Effects of Ionic Doping on the Behaviors of Oxygen Vacancies in HfO2 and ZrO2: A First Principles Study

10.1109/sispad.2009.5290225 ◽

2009 ◽

Cited By ~ 3

Author(s):

Haowei Zhang ◽

Bin Gao ◽

Shimeng Yu ◽

Lin Lai ◽

Lang Zeng ◽

...

Keyword(s):

First Principles ◽

Oxygen Vacancies ◽

First Principles Study

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First-principles study on the mechanism of photocatalytic reduction of nitrobenzene on the rutile TiO2(110) surface

Physical Chemistry Chemical Physics ◽

10.1039/c9cp05010h ◽

2020 ◽

Vol 22 (3) ◽

pp. 1187-1193 ◽

Cited By ~ 5

Author(s):

Yongfei Ji ◽

Ting Fan ◽

Yi Luo

Keyword(s):

First Principles ◽

Oxygen Vacancies ◽

Photocatalytic Reduction ◽

Rutile Tio2 ◽

First Principles Study ◽

Excess Electrons

Oxygen vacancies and excess electrons play vital roles in the photocatalytic reduction of nitrobenzene on the TiO2 surface.

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