scholarly journals Ab-initio study of hydrogen doping and oxygen vacancy at anatase TiO2 surface

AIP Advances ◽  
2014 ◽  
Vol 4 (2) ◽  
pp. 027129 ◽  
Author(s):  
M. Sotoudeh ◽  
S. J. Hashemifar ◽  
M. Abbasnejad ◽  
M. R. Mohammadizadeh
Keyword(s):  
Oxygen Vacancy ◽  
Ab Initio ◽  
Anatase Tio2 ◽  
Tio2 Surface ◽  
Ab Initio Study ◽  
Hydrogen Doping

Water driven adsorption of amino acids on the (101) anatase TiO2 surface: an ab initio study

2015 ◽  
Vol 17 (3) ◽  
pp. 1556-1561 ◽  
Author(s):  
Lorenzo Agosta ◽  
Giuseppe Zollo ◽  
Caterina Arcangeli ◽  
Francesco Buonocore ◽  
Fabrizio Gala ◽  
...  
Keyword(s):  
Amino Acids ◽  
Ab Initio ◽  
Water Solution ◽  
Anatase Tio2 ◽  
Tio2 Surface ◽  
Ab Initio Study

Arginine and lysine are stably adsorbed onto the (101) anatase TiO2 surface in water solution.

Ab initio study of electronic and optical properties of Fe doped anatase TiO2 (1 0 1) surface

2017 ◽  
Vol 1120 ◽  
pp. 17-23 ◽  
Author(s):  
Dragan Toprek ◽  
Vasil Koteski ◽  
Jelena Belošević-Čavor ◽  
Valentin Ivanovski ◽  
Ana Umićević
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Anatase Tio2 ◽  
Ab Initio Study ◽  
Electronic And Optical Properties

Defect structure of oxygen-vacancy clusters in O18 and self ion implanted Fe(100) crystal by ion channeling and ab-initio study

2018 ◽  
Vol 143 ◽  
pp. 198-204 ◽  
Author(s):  
Vairavel Mathayan ◽  
Saravanan Kothalamuthu ◽  
Jaiganesh Gnanasekaran ◽  
Lakshmanan Chelladurai ◽  
Rajaraman Ramalingam ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Ab Initio ◽  
Defect Structure ◽  
Ab Initio Study ◽  
Vacancy Clusters ◽  
Ion Channeling ◽  
Ion Implanted

Ab initio study of oxygen-vacancy LaAlO 3 (001) surface

2008 ◽  
Vol 17 (2) ◽  
pp. 655-661 ◽  
Author(s):  
Tang Jin-Long ◽  
Zhu Jun ◽  
Qin Wen-Feng ◽  
Xiong Jie ◽  
Li Yan-Rong
Keyword(s):  
Oxygen Vacancy ◽  
Ab Initio ◽  
Ab Initio Study

Understanding Oxygen-Vacancy Migration in the Fluorite Oxide CeO2: An Ab Initio Study of Impurity-Anion Migration

2015 ◽  
Vol 119 (51) ◽  
pp. 28269-28275 ◽  
Author(s):  
Annalena R. Genreith-Schriever ◽  
Pascal Hebbeker ◽  
Judith Hinterberg ◽  
Tobias Zacherle ◽  
Roger A. De Souza
Keyword(s):  
Oxygen Vacancy ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Vacancy Migration ◽  
Impurity Anion

Ab initio study of structural and electronic properties of SrTiO3 (001) oxygen-vacancy surfaces

2006 ◽  
Vol 124 (17) ◽  
pp. 174701 ◽  
Author(s):  
Meng-Qiu Cai ◽  
Yong-Jun Zhang ◽  
Guo-Wei Yang ◽  
Zhen Yin ◽  
Ming-Sheng Zhang ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Ab Initio ◽  
Electronic Properties ◽  
Ab Initio Study ◽  
Structural And Electronic Properties
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