Water adsorption and dissociation onSrTiO3(001)revisited: A density functional theory study

Physical Review B ◽

10.1103/physrevb.81.155455 ◽

2010 ◽

Vol 81 (15) ◽

Author(s):

Hannes Guhl ◽

Wolfram Miller ◽

Karsten Reuter

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Adsorption ◽

Density Functional Theory Study ◽

Functional Theory ◽

Adsorption And Dissociation

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Water adsorption on a NaCl (001) surface: A density functional theory study

Physical Review B ◽

10.1103/physrevb.74.245409 ◽

2006 ◽

Vol 74 (24) ◽

Author(s):

Yong Yang ◽

Sheng Meng ◽

E. G. Wang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Adsorption ◽

Density Functional Theory Study ◽

Functional Theory

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Adsorption and dissociation of H2 on the Cu2O(111) surface: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2010.07.095 ◽

2010 ◽

Vol 257 (4) ◽

pp. 1175-1180 ◽

Author(s):

Riguang Zhang ◽

Baojun Wang ◽

Lixia Ling ◽

Hongyan Liu ◽

Wei Huang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Adsorption And Dissociation

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A density functional theory study on the adsorption and dissociation of N2O on Cu2O(111) surface

Applied Surface Science ◽

10.1016/j.apsusc.2007.03.042 ◽

2007 ◽

Vol 253 (18) ◽

pp. 7501-7505 ◽

Author(s):

Bao-Zhen Sun ◽

Wen-Kai Chen ◽

Xia Wang ◽

Chun-Hai Lu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Adsorption And Dissociation

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Adsorption and dissociation of ammonia on Au(111) surface: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2008.03.031 ◽

2008 ◽

Vol 254 (18) ◽

pp. 5706-5710 ◽

Author(s):

Ruiqiu Liu ◽

Wei Shen ◽

Jinsheng Zhang ◽

Ming Li

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Adsorption And Dissociation

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Density Functional Theory Study of the Adsorption and Dissociation of Copper(I) Acetamidinates on Ni(110): The Effect of the Substrate

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c04521 ◽

2020 ◽

Vol 124 (28) ◽

pp. 15366-15376

Author(s):

Noboru Takeuchi ◽

Emiliano Ventura-Macias ◽

Jonathan Guerrero-Sánchez ◽

Francisco Zaera

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Adsorption And Dissociation

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CH2I2 adsorption and dissociation on Ag(111) surface using density functional theory study

Chemical Physics Letters ◽

10.1016/j.cplett.2008.06.082 ◽

2008 ◽

Vol 461 (1-3) ◽

pp. 47-52 ◽

Author(s):

Bo-Tao Teng ◽

Wei-Xin Huang ◽

Feng-Min Wu ◽

Xiao-Dong Wen ◽

Shi-Yu Jiang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Adsorption And Dissociation

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Adsorption and Dissociation of Ammonia Borane Outside and Inside Single-Walled Carbon Nanotubes: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/jp2036026 ◽

2011 ◽

Vol 115 (25) ◽

pp. 12580-12585 ◽

Author(s):

Chenghua Sun ◽

Aijun Du ◽

Xiangdong Yao ◽

Sean C. Smith

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Single Walled Carbon Nanotubes ◽

Ammonia Borane ◽

Density Functional Theory Study ◽

Functional Theory ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes ◽

Adsorption And Dissociation

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Adsorption and Dissociation of the O2 on W(111) Surface: A Density Functional Theory Study

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2010.2921 ◽

2010 ◽

Vol 10 (11) ◽

pp. 7196-7199 ◽

Author(s):

Meng Hsiung Weng ◽

Jin Yuan Hsieh ◽

Shin Pon Ju ◽

Jee Gong Chang ◽

Hsin Tsung Chen ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Adsorption And Dissociation

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Adsorption and dissociation of O2 on CuCl(111) surface: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2011.08.130 ◽

2011 ◽

Vol 258 (1) ◽

pp. 408-413 ◽

Author(s):

Riguang Zhang ◽

Hongyan Liu ◽

Baojun Wang ◽

Jun Ren ◽

Zhong Li

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Adsorption And Dissociation

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Periodic Density Functional Theory Study of Water Adsorption on the α-Quartz (101) Surface

The Journal of Physical Chemistry C ◽

10.1021/jp1106636 ◽

2011 ◽

Vol 115 (13) ◽

pp. 5756-5766 ◽

Author(s):

A. V. Bandura ◽

J. D. Kubicki ◽

J. O. Sofo

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Adsorption ◽

Density Functional Theory Study ◽

Functional Theory

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