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International Journal for Multiscale Computational Engineering
Fator do impacto: 1.016 FI de cinco anos: 1.194 SJR: 0.554 SNIP: 0.68 CiteScore™: 1.18

ISSN Imprimir: 1543-1649
ISSN On-line: 1940-4352

International Journal for Multiscale Computational Engineering

DOI: 10.1615/IntJMultCompEng.2015011405
pages 115-121

NUMERICAL STUDY OF p − n INTERFACE EFFECTS

Seong Min Kim
The Office of Computational Energy Science, Maetan 3-dong, Yeongtong-gu, Suwon-si, Gyeonggi-do, 443-373, Korea; CAE, Platform Technology Lab, Samsung Advanced Institute of Technology, Suwon-si, Gyeonggi-do, 443-803, Korea
J. W. Ha
Department of Chemistry, Korea Advanced Institute of Science and Technology, Daejeon 305-701, Korea
J.-H. Kwon
School of Electronics Engineering, Kyungpook National University, Daegu, Republic of Korea
J.-H. Jung
School of Electronics Engineering, Kyungpook National University, Daegu, Republic of Korea
J.-H. Bae
School of Electronics Engineering, Kyungpook National University, Daegu, Republic of Korea
H. Kim
Photo-Electronic Hybrids Research Center, Korea Institute of Science and Technology, Seoul 136-791, Korea
J. B. Kim
Department of Chemistry, Korea Advanced Institute of Science and Technology, Daejeon 305-701, Korea

RESUMO

In this study, we simulated piezoelectric enhancements of p − n core-shel nanowires with an inner-core cylinder of n-type ZnO and an outer-shell cylinder of p-type poly-3-hexylthiophene. Compared with conventional n-type ZnO nanowires, the piezoelectric potential of p − n core-shell nanowires with the same dimensions (core part; n-ZnO), calculated by subtracting the electrical potential of the uncompressed core-shell nanowires [φele (Tz = 0)] from that of compressed nanowires (φtotalele) according to φp − npiezo = φtotal eleφele (Tz = 0), are enhanced by more than a factor of 10. As the magnitude of vertical external compression (Tz) is varied from 0 to −9×107 N/m2, the piezoelectric potential of the model system increases. This improvement in the piezoelectric potential is attributed to the presence of a depletion zone at the p − n interface (space-charge region), which reduces the carrier screening of the piezoelectric potential by removing free carriers. Our results suggest that the structure proposed here for p − n core-shell nanowires could improve the performance of photovoltaic systems.


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