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.

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

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

Ab initio study of tautomerism and hydrogen bonding of β-carbonylamine in the gas phase and in water solution

2000 ◽  
Vol 104 (3-4) ◽  
pp. 226-234 ◽  
Author(s):  
Giuseppe Buemi ◽  
Felice Zuccarello ◽  
Ponnambalam Venuvanalingam ◽  
Marimuthu Ramalingam
Keyword(s):  
Hydrogen Bonding ◽  
Ab Initio ◽  
Gas Phase ◽  
Water Solution ◽  
Ab Initio Study

Excited state properties of formamide in water solution: An ab initio study

2012 ◽  
Vol 137 (16) ◽  
pp. 164317 ◽  
Author(s):  
V. Garbuio ◽  
M. Cascella ◽  
R. Del Sole ◽  
M. Marsili ◽  
O. Pulci
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Water Solution ◽  
Ab Initio Study
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