Density Functional Theory Study on Removal of Arsenic from Aluminum Oxide

Hans Journal of Chemical Engineering and Technology ◽

10.12677/hjcet.2022.121001 ◽

2022 ◽

Vol 12 (01) ◽

pp. 1-8

Author(s):

汝梦黄

Keyword(s):

Density Functional Theory ◽

Aluminum Oxide ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Removal Of Arsenic

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Thermal Atomic Layer Etching of Aluminum Oxide (Al2O3) Using Sequential Exposures of Niobium Pentafluoride (NbF5) and Carbon Tetrachloride (CCl4): A Combined Experimental and Density Functional Theory Study of the Etch Mechanism

Chemistry of Materials ◽

10.1021/acs.chemmater.1c00142 ◽

2021 ◽

Author(s):

Varun Sharma ◽

Simon D. Elliott ◽

Tom Blomberg ◽

Suvi Haukka ◽

Michael E. Givens ◽

...

Keyword(s):

Density Functional Theory ◽

Carbon Tetrachloride ◽

Aluminum Oxide ◽

Density Functional ◽

Atomic Layer ◽

Density Functional Theory Study ◽

Functional Theory ◽

Atomic Layer Etching

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Density Functional Theory Study of Ethylene Carbonate Adsorption on the (0001) Surface of Aluminum Oxide α-Al2O3

ACS Omega ◽

10.1021/acsomega.1c03771 ◽

2021 ◽

Author(s):

Brian Ramogayana ◽

David Santos-Carballal ◽

Khomotso P. Maenetja ◽

Nora H. de Leeuw ◽

Phuti E. Ngoepe

Keyword(s):

Density Functional Theory ◽

Aluminum Oxide ◽

Density Functional ◽

Ethylene Carbonate ◽

Density Functional Theory Study ◽

Functional Theory ◽

Α Al2o3 ◽

Carbonate Adsorption

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Modeling the Chemical Mechanism of the Thermal Atomic Layer Etch of Aluminum Oxide: A Density Functional Theory Study of Reactions during HF Exposure

Chemistry of Materials ◽

10.1021/acs.chemmater.8b01930 ◽

2018 ◽

Vol 30 (17) ◽

pp. 5912-5922 ◽

Author(s):

Suresh Kondati Natarajan ◽

Simon D. Elliott

Keyword(s):

Density Functional Theory ◽

Aluminum Oxide ◽

Density Functional ◽

Atomic Layer ◽

Chemical Mechanism ◽

Density Functional Theory Study ◽

Functional Theory

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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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