Atomistic Mechanisms of Chemical Mechanical Polishing of a Cu Surface in Aqueous H2O2: Tight-Binding Quantum Chemical Molecular Dynamics Simulations

2016 ◽  
Vol 8 (18) ◽  
pp. 11830-11841 ◽  
Author(s):  
Kentaro Kawaguchi ◽  
Hiroshi Ito ◽  
Takuya Kuwahara ◽  
Yuji Higuchi ◽  
Nobuki Ozawa ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Chemical Mechanical Polishing ◽  
Quantum Chemical ◽  
Tight Binding ◽  
Mechanical Polishing ◽  
Dynamics Simulations ◽  
Quantum Chemical Molecular Dynamics

Cooperative Roles of Chemical Reactions and Mechanical Friction in Chemical Mechanical Polishing of Gallium Nitride Assisted by OH Radicals: Tight-Binding Quantum Chemical Molecular Dynamics Simulations

2021 ◽  
Author(s):  
Kentaro Kawaguchi ◽  
Yang Wang ◽  
Jingxiang Xu ◽  
Yusuke Ootani ◽  
Yuji Higuchi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Gallium Nitride ◽  
Chemical Mechanical Polishing ◽  
Quantum Chemical ◽  
Laser Diodes ◽  
Tight Binding ◽  
Mechanical Polishing ◽  
Oh Radicals ◽  
Dynamics Simulations ◽  
Quantum Chemical Molecular Dynamics

Chemical mechanical polishing (CMP) is a key manufacturing process for applying gallium nitride (GaN), especially the Ga-face GaN, to semiconductor devices such as laser diodes. However, the CMP efficiency for...

Tight-binding quantum chemical molecular dynamics simulations for the elucidation of chemical reaction dynamics in SiC etching with SF6/O2 plasma

2016 ◽  
Vol 18 (11) ◽  
pp. 7808-7819 ◽  
Author(s):  
Hiroshi Ito ◽  
Takuya Kuwahara ◽  
Kentaro Kawaguchi ◽  
Yuji Higuchi ◽  
Nobuki Ozawa ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Chemical Reaction ◽  
Quantum Chemical ◽  
Tight Binding ◽  
Reaction Dynamics ◽  
Chemical Reaction Dynamics ◽  
Dynamics Simulations ◽  
Quantum Chemical Molecular Dynamics ◽  
O2 Plasma

Simulations based on tight-binding quantum chemical molecular dynamics are performed to elucidate SiC etching mechanisms and to study SiC surface reactions with SF5 radicals and O atoms.

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