@inproceedings{687bf5a1f3184af9b9b349bfb7b48feb,
title = "Atomistic simulations of grain boundaries in CdTe",
abstract = "An improvement in efficiencies of polycrystalline CdTe can possibly be achieved by understanding the role of grain boundaries. Therefore, we systematically studied the atomic and electronic structures of various high angle grain boundaries including asymmetric tilt and twist grain boundaries using empirical potentials and density functional theory (DFT). The density of states analysis revealed that most grain boundaries lead to the formation of midgap states, which can drastically reduce the photovoltaic efficiency. The planar-averaged electrostatic potential analysis indicated attraction for holes around the grain boundary region.",
keywords = "CdTe, density functional theory, grain boundaries",
author = "Sen, {Fatih G.} and Christopher Buurma and Tadas Paulauskas and Ce Sun and Moon Kim and Sivalingam Sivananthan and Klie, {Robert F.} and Chan, {Maria K.Y.}",
note = "Publisher Copyright: {\textcopyright} 2015 IEEE.; 42nd IEEE Photovoltaic Specialist Conference, PVSC 2015 ; Conference date: 14-06-2015 Through 19-06-2015",
year = "2015",
month = dec,
day = "14",
doi = "10.1109/PVSC.2015.7355935",
language = "English (US)",
series = "2015 IEEE 42nd Photovoltaic Specialist Conference, PVSC 2015",
publisher = "Institute of Electrical and Electronics Engineers Inc.",
booktitle = "2015 IEEE 42nd Photovoltaic Specialist Conference, PVSC 2015",
address = "United States",
}
