scholarly journals Ab initio study of noncentrosymmetric transition-metal monogermanide B20-RhGe synthesized at high temperature and pressure

2020 ◽  
Vol 229 (2-3) ◽  
pp. 167-178 ◽  
Author(s):  
Nikolay M. Chtchelkatchev ◽  
Maria V. Magnitskaya ◽  
Anatoly V. Tsvyashchenko
Keyword(s):  
High Temperature ◽  
Transition Metal ◽  
Ab Initio ◽  
Ab Initio Study ◽  
High Temperature And Pressure ◽  
Temperature And Pressure

Ab initio study of thermophysical properties of β-PbO2 under high temperature and pressure

2021 ◽  
Vol 140 (2) ◽  
Author(s):  
Farida Bounab ◽  
Nacer-Eddine Chelali ◽  
Abdallah Merrouche ◽  
Loubna Salik ◽  
Nadir Bouarissa ◽  
...  
Keyword(s):  
High Temperature ◽  
Ab Initio ◽  
Thermophysical Properties ◽  
Ab Initio Study ◽  
High Temperature And Pressure ◽  
Temperature And Pressure

Nitrogen reduction reaction on single cluster catalysts of defective PC6-trimeric or tetrameric transition metal

2021 ◽  
Author(s):  
Peiyuan Du ◽  
Yu Hong Huang ◽  
Gangqiang Zhu ◽  
Fei Ma ◽  
Jian-Min Zhang ◽  
...  
Keyword(s):  
High Temperature ◽  
Transition Metal ◽  
Greenhouse Gas ◽  
Production Efficiency ◽  
Greenhouse Gas Emission ◽  
Reduction Reaction ◽  
Gas Emission ◽  
High Temperature And Pressure ◽  
Temperature And Pressure ◽  
Single Cluster

The traditional Haber-Bosch method of ammonia (NH3) synthesis has low production efficiency and can lead to greenhouse gas emission due to high temperature and pressure dependent reactions. Hence, the nitrogen...

scholarly journals Ab initio simulation on thermodynamic equation of state of fcc aluminum under high temperature and pressure

2009 ◽  
Vol 58 (6) ◽  
pp. 4103
Author(s):  
Ji Guang-Fu ◽  
Zhang Yan-Li ◽  
Cui Hong-Lingi ◽  
Li Xiao-Feng ◽  
Zhao Feng ◽  
...  
Keyword(s):  
High Temperature ◽  
Equation Of State ◽  
Ab Initio ◽  
Ab Initio Simulation ◽  
Thermodynamic Equation ◽  
High Temperature And Pressure ◽  
Temperature And Pressure
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