• Complex
  • Title
  • Keyword
  • Abstract
  • Scholars
  • Journal
  • ISSN
  • Conference
搜索

Author:

Lu, Hao (Lu, Hao.) | Zhao, Chong (Zhao, Chong.) | Wang, Haibin (Wang, Haibin.) | Liu, Xuemei (Liu, Xuemei.) | Yu, Rong (Yu, Rong.) | Song, Xiaoyan (Song, Xiaoyan.) (Scholars:宋晓艳)

Indexed by:

EI Scopus SCIE PubMed

Abstract:

There is intensive searching for superhard materials in both theoretical and experimental studies. Refractory and transition metal carbides are typical materials with high hardness. In this study, first-principles calculations were performed first to analyze the electronic structures and mechanical properties of the tungsten-carbide-based compounds. The results indicated that tungsten carbide could be hardened by alloying elements with high work functions to tailor the Fermi level and electron density. Guided by the calculations, a new type of tungsten carbide alloyed with Re was synthesized. The Young's modulus and hardness of the Re-alloyed tungsten carbide are increased by 31% and 44%, respectively, as compared with those of tungsten carbide. This study provides a new methodology to design superhard materials on a feasible electronic base using work function as a simple guiding parameter.

Keyword:

first-principles calculation tungsten carbide electronic structure work function

Author Community:

  • [ 1 ] [Lu, Hao]Beijing Univ Technol, Educ Minist China, Key Lab Adv Funct Mat, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 2 ] [Zhao, Chong]Beijing Univ Technol, Educ Minist China, Key Lab Adv Funct Mat, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 3 ] [Wang, Haibin]Beijing Univ Technol, Educ Minist China, Key Lab Adv Funct Mat, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 4 ] [Liu, Xuemei]Beijing Univ Technol, Educ Minist China, Key Lab Adv Funct Mat, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 5 ] [Song, Xiaoyan]Beijing Univ Technol, Educ Minist China, Key Lab Adv Funct Mat, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 6 ] [Yu, Rong]Tsinghua Univ, Natl Ctr Electron Microscopy Beijing, Sch Mat Sci & Engn, Beijing 100084, Peoples R China

Reprint Author's Address:

  • 宋晓艳

    [Song, Xiaoyan]Beijing Univ Technol, Educ Minist China, Key Lab Adv Funct Mat, Coll Mat Sci & Engn, Beijing 100124, Peoples R China

Show more details

Related Keywords:

Source :

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS

Year: 2019

Volume: 75

Page: 994-1002

1 . 9 0 0

JCR@2022

ESI Discipline: CHEMISTRY;

ESI HC Threshold:166

JCR Journal Grade:3

Cited Count:

WoS CC Cited Count: 4

SCOPUS Cited Count: 6

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 8

Online/Total:695/10642091
Address:BJUT Library(100 Pingleyuan,Chaoyang District,Beijing 100124, China Post Code:100124) Contact Us:010-67392185
Copyright:BJUT Library Technical Support:Beijing Aegean Software Co., Ltd.