Effects of Solute Atoms on 9R Phase Stabilization in High-Performance Al Alloys: A First-Principles Study

JOM ◽  
2019 ◽  
Vol 71 (6) ◽  
pp. 2047-2053 ◽  
Author(s):  
Zhipeng Wang ◽  
Qihong Fang ◽  
Touwen Fan ◽  
Dongchu Chen ◽  
Bin Liu ◽  
...  
Keyword(s):  
First Principles ◽  
High Performance ◽  
Al Alloys ◽  
First Principles Study ◽  
Phase Stabilization ◽  
Solute Atoms

First-principles study on h-BSi3 sheet as a promising high-performance anode for sodium-ion batteries

2021 ◽  
Author(s):  
Sankha Ghosh
Keyword(s):  
Lithium Ion Batteries ◽  
First Principles ◽  
High Performance ◽  
Lithium Ion ◽  
Sodium Ion ◽  
Earth’S Crust ◽  
Sodium Ion Batteries ◽  
First Principles Study ◽  
Earth's Crust

Seeking cheap, efficient and sustainable alternatives to lithium-ion batteries (LIBs), sodium-ion batteries (SIBs) has emerged as a realm of research, due to the abundance of Na in the earth's crust.

Elastic properties of long periodic stacking ordered phases in Mg-Gd-Al alloys: A first-principles study

2018 ◽  
Vol 98 ◽  
pp. 18-27 ◽  
Author(s):  
Hongyeun Kim ◽  
William Yi Wang ◽  
Shun-Li Shang ◽  
Laszlo J. Kecskes ◽  
Kristopher A. Darling ◽  
...  
Keyword(s):  
Elastic Properties ◽  
First Principles ◽  
Al Alloys ◽  
First Principles Study ◽  
Ordered Phases

Bridging or in-Plane Oxygen Vacancies for a High-Performance Chemoresistive Gas Sensors? a First-Principles Study

2020 ◽  
Vol MA2020-01 (28) ◽  
pp. 2111-2111
Author(s):  
Soufiane Krik ◽  
Andrea Gaiardo ◽  
Matteo Valt ◽  
Barbara Fabbri ◽  
Cesare Malagù ◽  
...  
Keyword(s):  
Gas Sensors ◽  
First Principles ◽  
High Performance ◽  
Oxygen Vacancies ◽  
First Principles Study

Li-decorated porous graphene as a high-performance hydrogen storage material: A first-principles study

2017 ◽  
Vol 42 (15) ◽  
pp. 10099-10108 ◽  
Author(s):  
Fengdi Wang ◽  
Tong Zhang ◽  
Xiaoying Hou ◽  
Wanqiao Zhang ◽  
Shuwei Tang ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
High Performance ◽  
Hydrogen Storage Material ◽  
Storage Material ◽  
Porous Graphene ◽  
First Principles Study

First-Principles study on the nucleation of precipitates in ternary Al alloys doped with Sc, Li, Zr, and Ti elements

2020 ◽  
Vol 526 ◽  
pp. 146455
Author(s):  
Sha-sha Li ◽  
Lu Li ◽  
Jie Han ◽  
Chu-tian Wang ◽  
Yu-qin Xiao ◽  
...  
Keyword(s):  
First Principles ◽  
Al Alloys ◽  
First Principles Study

scholarly journals A first principles study of spinel ZnFe2O4 for electrode materials in lithium-ion batteries

2017 ◽  
Vol 19 (38) ◽  
pp. 26322-26329 ◽  
Author(s):  
Haoyue Guo ◽  
Yiman Zhang ◽  
Amy C. Marschilok ◽  
Kenneth J. Takeuchi ◽  
Esther S. Takeuchi ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Lithium Ion Battery ◽  
First Principles ◽  
High Performance ◽  
Electrode Materials ◽  
Lithium Ion ◽  
Battery Materials ◽  
First Principles Study

The interplay among Li, O2−, Fe3+ and Zn2+ enables the high performance of ZnFe2O4 as Lithium ion battery materials.

scholarly journals First principles study of Schottky barriers at Ga2O3(100)/metal interfaces

RSC Advances ◽  
2020 ◽  
Vol 10 (25) ◽  
pp. 14746-14752
Author(s):  
Ran Xu ◽  
Na Lin ◽  
Zhitai Jia ◽  
Yueyang Liu ◽  
Haoyuan Wang ◽  
...  
Keyword(s):  
Schottky Barrier ◽  
Barrier Height ◽  
First Principles ◽  
High Performance ◽  
Schottky Barrier Height ◽  
Electronic Devices ◽  
Schottky Barriers ◽  
First Principles Study ◽  
Metal Interfaces ◽  
Semiconductor Contact

A low Schottky barrier height (SBH) of metal–semiconductor contact is essential for achieving high performance electronic devices.

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