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Filtering by: Author Tsuyoshi Miyazaki

Large-scale DFT calculations of multi-component glass systems (SiO2)0.70(Al2O3)0.13(XO)0.17 (X = Mg, Ca, Sr, Ba) : Accuracy of classical force fields

Description/Abstract:

Although molecular dynamics (MD) simulation is a powerful tool for investigating the atomic-scale structures of complex materials, severa...

Keyword:

Classical force fields, First-principles calculations, Large-scale DFT, Molecular dynamics simulations, and Multi-component glass

Resource Type:

Article

Author:

Atsushi Tanaka, Atsuki Saito, Takashi Murata, Ayako Nakata, and Tsuyoshi Miyazaki

Journal:

Journal of Non-Crystalline Solids

Date Uploaded:

05/03/2024
An efficient cathode electrocatalyst for anion exchange membrane water electrolyzer

Description/Abstract:

A high performance and durable electrocatalyst for the cathodic hydrogen evolution reaction (HER) in anion exchange membrane (AEM) water ...

Keyword:

Anion exchange membrane water electrolyzer, Density functional theory, Hierarchical MoS2, In-situ Raman analysis, and Pt–C core-shell

Resource Type:

Article

Author:

Shanmugam Ramakrishnan, Subramanian Vijayapradeep, Selva Chandrasekaran Selvaraj, Jian Huang, S.C. Karthikeyan, Rambabu Gutru, Natarajan Logeshwaran, Tsuyoshi Miyazaki, Mohamed Mamlouk, and Dong Jin Yoo

Journal:

Carbon

Date Uploaded:

04/03/2024