Paper Title:
Modulation of Band Gaps of Codoping GaN: A First Principles Study
  Abstract

To improve the solar energy conversion of GaN for photocatalytic, the band gap of GaN should be tailored to match with visible light absorption, we calculated that Cr/C codoping effectively narrows the band gap of GaN by using first-principles calculations. Cr/C codoping can split the band gap with the formation of an intermediate band. Positive defect pair binding energy indicates that the defect pairs are stable with respect to the isolate impurity in the sample. The band gap narrowing can be optimized to shift light absorption into the peak of the visible spectral region , which enable maximal utilization of sunlight and thus offer immense potential for applications in solar energy conversion.

  Info
Periodical
Advanced Materials Research (Volumes 287-290)
Chapter
New Functional Materials
Edited by
Jinglong Bu, Pengcheng Wang, Liqun Ai, Xiaoming Sang, Yungang Li
Pages
306-312
DOI
10.4028/www.scientific.net/AMR.287-290.306
Citation
J. Wang, R. Z. Wang, L. C. Xu, H. Yan, "Modulation of Band Gaps of Codoping GaN: A First Principles Study", Advanced Materials Research, Vols. 287-290, pp. 306-312, 2011
Online since
July 2011
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Price
$32.00
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