Tuning the structures and electron transport properties of ultrathin Cu nanowires by size and bending stress using DFT and DFTB methods
Author:
Affiliation:
1. State Key Laboratory for Mechanical Behavior of Materials
2. School of Materials Science and Engineering
3. Xi’an Jiaotong University
4. Xi’an 710049
5. Chang’an University
6. Xi’an 710064
7. China
Abstract
Electron transport properties of ultrathin Cu nanowires with diameters of 0.2–1.0 nm under different bending stresses are reported, using density functional theory and density-functional-based tight-binding approaches, for application in flexible displays and solar cells.
Funder
National Natural Science Foundation of China
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2015/RA/C4RA15051A
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