Surface reaction of the hafnium precursor with a linked amido-cyclopentadienyl ligand: A density functional theory study

Journal of Vacuum Science & Technology A Vacuum Surfaces and Films ◽

10.1116/6.0000796 ◽

2021 ◽

Vol 39 (3) ◽

pp. 032410

Author(s):

Romel Hidayat ◽

Hye-Lee Kim ◽

Hohoon Kim ◽

Younghun Byun ◽

Jongsoo Lee ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Cyclopentadienyl Ligand

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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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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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Surface reaction mechanism of Y2O3 atomic layer deposition on the hydroxylated Si(100)-2×1: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2009.03.044 ◽

2009 ◽

Vol 255 (16) ◽

pp. 7136-7141 ◽

Author(s):

Jie Ren ◽

Guangfen Zhou ◽

Yongqi Hu ◽

David Wei Zhang

Keyword(s):

Density Functional Theory ◽

Reaction Mechanism ◽

Atomic Layer Deposition ◽

Density Functional ◽

Surface Reaction ◽

Atomic Layer ◽

Density Functional Theory Study ◽

Functional Theory ◽

Layer Deposition ◽

Surface Reaction Mechanism

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Surface Reaction of Alkynes and Alkenes with H-Si(111): A Density Functional Theory Study

Journal of the American Chemical Society ◽

10.1021/ja046702w ◽

2004 ◽

Vol 126 (48) ◽

pp. 15890-15896 ◽

Author(s):

Noboru Takeuchi ◽

Yosuke Kanai ◽

Annabella Selloni

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory

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Surface reaction mechanism of atomic layer deposition of HfO2 on Ge(100)-2×1: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2005.11.057 ◽

2006 ◽

Vol 252 (24) ◽

pp. 8466-8470 ◽

Author(s):

Jie Ren ◽

Hong-Liang Lu ◽

Wei Chen ◽

Min Xu ◽

David Wei Zhang

Keyword(s):

Density Functional Theory ◽

Reaction Mechanism ◽

Atomic Layer Deposition ◽

Density Functional ◽

Surface Reaction ◽

Atomic Layer ◽

Density Functional Theory Study ◽

Functional Theory ◽

Layer Deposition ◽

Surface Reaction Mechanism

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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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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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