caa a22 4500 605488223 CHVBK 20210128100454.0 cr unu---uuuuu 210128e20150501xx s 000 0 eng 10.1007/s00214-015-1669-8 doi (NATIONALLICENCE)springer-10.1007/s00214-015-1669-8 Matsuura Yukihito Department of Chemical Engineering, Nara National College of Technology, Yatacho 22, 639-1080, Yamato-koriyama, Nara, Japan aut Electronic transport properties of linear homocatenated indium chains [Elektronische Daten] [Yukihito Matsuura] The electronic transport properties of linear homocatenated indium chain were estimated through first-principle calculations. Long chains comprising four or five indium atoms exhibited a large transmission peak at the Fermi level, which enhanced their conductance. This peak was caused by enhanced σ-conjugation in the indium main chain. Due to σ-conjugation, the conductance did not monotonously attenuate under tunneling upon extension of molecular length. Therefore, homocatenation in indium chains is a promising candidate for molecular conduction. Springer-Verlag Berlin Heidelberg, 2015 Indium chain nationallicence σ-Conjugation nationallicence Molecular conduction nationallicence NEGF nationallicence DFT nationallicence Theoretical Chemistry Accounts Springer Berlin Heidelberg 134/5(2015-05-01), 1-6 1432-881X 134:5<1 2015 134 214 https://doi.org/10.1007/s00214-015-1669-8 text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1007/s00214-015-1669-8 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Matsuura Yukihito Department of Chemical Engineering, Nara National College of Technology, Yatacho 22, 639-1080, Yamato-koriyama, Nara, Japan aut NATIONALLICENCE 773 0- Theoretical Chemistry Accounts Springer Berlin Heidelberg 134/5(2015-05-01), 1-6 1432-881X 134:5<1 2015 134 214