The effects of transitional metal element doping on the Cs(I) adsorption of kaolinite (0 0 1): A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2021.149210 ◽

2021 ◽

Vol 547 ◽

pp. 149210

Author(s):

Mingkun Zhang ◽

Meng Xia ◽

Dechun Li ◽

Zhenlu Sun ◽

Yue You ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Transitional Metal ◽

Element Doping ◽

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Regulating the effect of element doping on the CO2 capture performance of kaolinite: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2020.145642 ◽

2020 ◽

Vol 512 ◽

pp. 145642 ◽

Author(s):

Jialiang Hou ◽

Meng Chen ◽

Yanfang Zhou ◽

Liang Bian ◽

Faqing Dong ◽

...

Keyword(s):

Density Functional Theory ◽

Co2 Capture ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Density Functional Theory Study of Transitional Metal Macrocyclic Complexes' Dioxygen-Binding Abilities and Their Catalytic Activities toward Oxygen Reduction Reaction

The Journal of Physical Chemistry C ◽

10.1021/jp0671749 ◽

2007 ◽

Vol 111 (19) ◽

pp. 7084-7090 ◽

Author(s):

Zheng Shi ◽

Jiujun Zhang

Keyword(s):

Density Functional Theory ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Reduction Reaction ◽

Macrocyclic Complexes ◽

Density Functional Theory Study ◽

Functional Theory ◽

Catalytic Activities ◽

Transitional Metal

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

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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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

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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

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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

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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 ◽

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

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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 ◽

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 ◽

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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 ◽

Author(s):

R. Majidi ◽

A. R. Karami

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on Raman Spectra of Rhodamine Molecules in Different Forms

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/27/03/291-296 ◽

2014 ◽

Vol 27 (3) ◽

pp. 291-296 ◽

Author(s):

Yong Ma ◽

Wei Hu ◽

Xiu-neng Song ◽

Chuan-kui Wang

Keyword(s):

Density Functional Theory ◽

Raman Spectra ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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