Morphology and Surface Properties of Boehmite (γ-AlOOH): A Density Functional Theory Study

P Raybaud; M Digne; R Iftimie; W Wellens; P Euzen; H Toulhoat

doi:10.1006/jcat.2001.3246

Morphology and Surface Properties of Boehmite (γ-AlOOH): A Density Functional Theory Study

Journal of Catalysis ◽

10.1006/jcat.2001.3246 ◽

2001 ◽

Vol 201 (2) ◽

pp. 236-246 ◽

Cited By ~ 151

Author(s):

P Raybaud ◽

M Digne ◽

R Iftimie ◽

W Wellens ◽

P Euzen ◽

...

Keyword(s):

Density Functional Theory ◽

Surface Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

Surface properties of the (001) surface of cubic BaMnO3: A density functional theory study

Journal of Applied Physics ◽

10.1063/1.3410797 ◽

2010 ◽

Vol 107 (12) ◽

pp. 123704 ◽

Cited By ~ 13

Author(s):

N. Li ◽

K. L. Yao ◽

G. Y. Gao ◽

L. Zhu ◽

Y. Y. Wu

Keyword(s):

Density Functional Theory ◽

Surface Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

Surface properties of copper in different solvent mother solutions: A density functional theory study

Applied Catalysis A General ◽

10.1016/j.apcata.2010.01.014 ◽

2010 ◽

Vol 375 (2) ◽

pp. 181-187 ◽

Cited By ~ 21

Author(s):

Zhijun Zuo ◽

LuLu Sun ◽

Wei Huang ◽

Peide Han ◽

Zhihong Li

Keyword(s):

Density Functional Theory ◽

Surface Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

Electronic structure and surface properties of PrMnO 3 (001): A density functional theory study

Solid State Communications ◽

10.1016/j.ssc.2014.10.005 ◽

2015 ◽

Vol 201 ◽

pp. 31-35 ◽

Cited By ~ 6

Author(s):

Yongjun Zhou ◽

Zhe Lü ◽

Bo Wei ◽

Zhihong Wang ◽

Xingbao Zhu

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Surface Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

Download Full-text

Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

Download Full-text

Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

Download Full-text

Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/26/01/35-42 ◽

2013 ◽

Vol 26 (1) ◽

pp. 35-42 ◽

Cited By ~ 10

Author(s):

Peng Wang ◽

Ming‐xia Yang ◽

Sheng‐li Zhang ◽

Shi‐ping Huang ◽

Hui‐ping Tian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Mn Doped

Download Full-text

Nitrotyrosine adsorption on carbon nanotube: a density functional theory study

Indian Journal of Physics ◽

10.1007/s12648-013-0438-6 ◽

2014 ◽

Vol 88 (5) ◽

pp. 483-487 ◽

Cited By ~ 15

Author(s):

R. Majidi ◽

A. R. Karami

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text