Density functional theory study of the adsorption of elemental mercury on a 1T-MoS2 monolayer

Journal of Zhejiang University SCIENCE A ◽

10.1631/jzus.a1700079 ◽

2018 ◽

Vol 19 (1) ◽

pp. 60-67 ◽

Author(s):

Xue-liang Mu ◽

Xiang Gao ◽

Hai-tao Zhao ◽

Michael George ◽

Tao Wu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Elemental Mercury ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Density Functional Theory Study of Elemental Mercury Immobilization on CuSe(001) Surface: Reaction Pathway and Effect of Typical Flue Gas Components

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.0c02287 ◽

2020 ◽

Vol 59 (30) ◽

pp. 13603-13612 ◽

Author(s):

Zequn Yang ◽

Shengcai Wang ◽

Hailong Li ◽

Jianping Yang ◽

Jiexia Zhao ◽

...

Keyword(s):

Density Functional Theory ◽

Flue Gas ◽

Density Functional ◽

Surface Reaction ◽

Reaction Pathway ◽

Elemental Mercury ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study of Elemental Mercury Adsorption on Fe2O3[104] and Its Effect on Carbon Deposit during Chemical Looping Combustion

Energy & Fuels ◽

10.1021/acs.energyfuels.5b01937 ◽

2016 ◽

Vol 30 (4) ◽

pp. 3413-3418 ◽

Author(s):

Junjiao Zhang ◽

Wu Qin ◽

Changqing Dong ◽

Yongping Yang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Elemental Mercury ◽

Carbon Deposit ◽

Chemical Looping Combustion ◽

Chemical Looping ◽

Density Functional Theory Study ◽

Mercury Adsorption ◽

Functional Theory

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Density functional theory study of elemental mercury adsorption on boron doped graphene surface decorated by transition metals

Applied Surface Science ◽

10.1016/j.apsusc.2015.11.170 ◽

2016 ◽

Vol 362 ◽

pp. 140-145 ◽

Author(s):

Siriporn Jungsuttiwong ◽

Yutthana Wongnongwa ◽

Supawadee Namuangruk ◽

Nawee Kungwan ◽

Vinich Promarak ◽

...

Keyword(s):

Density Functional Theory ◽

Transition Metals ◽

Density Functional ◽

Elemental Mercury ◽

Density Functional Theory Study ◽

Mercury Adsorption ◽

Functional Theory ◽

Graphene Surface ◽

Boron Doped ◽

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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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