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The calculation of surface energies and formation enthalpies of metallic Mo and W nanocrystals
Xie Dan 1 * #,Wang Mingpu 1,Cao Lingfei 2,Jia Yanlin 2
1.School of Materials Science and Engineering, Central South University
2.School of Materials Science and Engineering- Central South University
*Correspondence author
#Submitted by
Subject:
Funding: none
Opened online: 8 September 2005
Accepted by: none
Citation: Xie Dan,Wang Mingpu,Cao Lingfei.The calculation of surface energies and formation enthalpies of metallic Mo and W nanocrystals[OL]. [ 8 September 2005] http://en.paper.edu.cn/en_releasepaper/content/2825
 
 
A simple but valid equation for the higher surface energies of metallic nanocrystals is obtained, the formation enthalpies of nanocrystals are calculated by using the equation of surface energies, and the structure variation induced formation enthalpies are also discussed. The calculated surface energy values of Ag and Au nanocrystals are in excellent agreement with the corresponding newest experimental values, and the predicted formation enthalpy values are consonant with the corresponding experimental values of Mo and W nanocrystals.
Keywords:Metallic nanocrystals, Surface energy, Formation enthalpy
 
 
 

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