Cluster Expansion Method for Simulating Realistic Size of Nanoparticle Catalysts with an Application in CO2 Electroreduction

2018 ◽  
Vol 122 (16) ◽  
pp. 9245-9254 ◽  
Author(s):  
Taedaehyeong Eom ◽  
Won June Kim ◽  
Hyung-Kyu Lim ◽  
Myung Hoon Han ◽  
Kyeong Hwan Han ◽  
...  
Keyword(s):  
Cluster Expansion ◽  
Expansion Method ◽  
Nanoparticle Catalysts ◽  
Cluster Expansion Method ◽  
Co2 Electroreduction

Utilization of the Cluster Expansion Method for Doping the Li2Mn1-XTMxO3 (TM=Ni, Co, Cr and Ru) Cathode Material

2021 ◽  
Vol MA2021-02 (3) ◽  
pp. 310-310
Author(s):  
Mamonamane Gratitude Mphahlele ◽  
Mallang Cliffton Masedi ◽  
Phuti Esrom Ngoepe ◽  
Raesibe Sylvia Ledwaba
Keyword(s):  
Cathode Material ◽  
Cluster Expansion ◽  
Expansion Method ◽  
Cluster Expansion Method

scholarly journals Anion order in perovskite oxynitrides AMO2N (A = Ba, Sr, Ca; M = Ta, Nb): a first-principles based investigation

RSC Advances ◽  
2020 ◽  
Vol 10 (41) ◽  
pp. 24410-24418
Author(s):  
Xi Xu ◽  
Hong Jiang
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Cluster Expansion ◽  
First Principles ◽  
Expansion Method ◽  
First Principles Calculations ◽  
Cluster Expansion Method

Anion order in perovskite oxynitrides is investigated by a combination of first-principles calculations, cluster expansion method and Monte Carlo simulations.

scholarly journals Statistical mechanics of self-gravitating system: Cluster expansion method

1999 ◽  
Vol 260 (1-2) ◽  
pp. 4-9 ◽  
Author(s):  
Osamu Iguchi ◽  
Tomomi Kurokawa ◽  
Masahiro Morikawa ◽  
Akika Nakamichi ◽  
Yasuhide Sota ◽  
...  
Keyword(s):  
Statistical Mechanics ◽  
Cluster Expansion ◽  
Expansion Method ◽  
Cluster Expansion Method
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