Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review
Electronic properties of binary and mixed [RMNH] n (R=H,CH 3 , M=Al,Ga,In) oligomers. / Oranskaya, A. A.; Pomogaeva, A. V.; Timoshkin, A. Y.
4th International Congress in Advances in Applied Physics and Materials Science, APMAS 2014. ed. / Zehra Banu Bahsi; Mehmet Emre Okoz; Ahmet Yavuz Oral; Mehmet Ozer; Mehmet Sezer. American Institute of Physics, 2015. 020083 (AIP Conference Proceedings; Vol. 1653).Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review
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TY - GEN
T1 - Electronic properties of binary and mixed [RMNH] n (R=H,CH 3 , M=Al,Ga,In) oligomers
AU - Oranskaya, A. A.
AU - Pomogaeva, A. V.
AU - Timoshkin, A. Y.
N1 - Publisher Copyright: © 2015 AIP Publishing LLC. Copyright: Copyright 2019 Elsevier B.V., All rights reserved.
PY - 2015/3/30
Y1 - 2015/3/30
N2 - Theoretical investigation of structural and electronic properties is presented for the rod-like oligomers R 3 -[MRNH] 3n -H 3 and [RMNH] n+1 (M=Ga,Al,In R=H,CH 3 ) of different lengths. Electronic structures of the oligomers with and without substitutions of Ga atoms with Al or In were studied at DFT level of theory. Clusters up to 8nm of length were considered. A type of terminal groups of the oligomers is found to have a dominant influence on their electronic properties.
AB - Theoretical investigation of structural and electronic properties is presented for the rod-like oligomers R 3 -[MRNH] 3n -H 3 and [RMNH] n+1 (M=Ga,Al,In R=H,CH 3 ) of different lengths. Electronic structures of the oligomers with and without substitutions of Ga atoms with Al or In were studied at DFT level of theory. Clusters up to 8nm of length were considered. A type of terminal groups of the oligomers is found to have a dominant influence on their electronic properties.
KW - DFT
KW - Electronic structure
KW - oligomers
UR - http://www.scopus.com/inward/record.url?scp=85063823134&partnerID=8YFLogxK
U2 - 10.1063/1.4914274
DO - 10.1063/1.4914274
M3 - Conference contribution
SN - 9780735412958
T3 - AIP Conference Proceedings
BT - 4th International Congress in Advances in Applied Physics and Materials Science, APMAS 2014
A2 - Bahsi, Zehra Banu
A2 - Okoz, Mehmet Emre
A2 - Oral, Ahmet Yavuz
A2 - Ozer, Mehmet
A2 - Sezer, Mehmet
PB - American Institute of Physics
T2 - 4th International Congress in Advances in Applied Physics and Materials Science, APMAS 2014
Y2 - 24 April 2014 through 27 April 2014
ER -
ID: 3921961