Electronic structures of protein nanotubes

被引:19
作者
Fukasaku, K
Takeda, K
Shiraishi, K
机构
[1] WASEDA UNIV, DEPT MAT SCI & ENGN, SHINJYUKU KU, TOKYO 169, JAPAN
[2] NIPPON TELEGRAPH & TEL PUBL CORP, BASIC RES LABS, ATSUGI, KANAGAWA 24301, JAPAN
关键词
protein nanotubes; first-principle electronic structures; local density functional method; energy band gap;
D O I
10.1143/JPSJ.66.3387
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The electronic structures of protein nanotubes, which are formed by the periodical stacking of cycle-peptide-rings (CPRs), are theoretically investigated in terms of ab initio calculations. The interring interaction is caused through the interring H bonds, when CPRs are periodically stacked. This interaction has a potential to delocalize electrons and holes toward the tube axis, so that the band conduction occurs throughout the interring H bonds.
引用
收藏
页码:3387 / 3390
页数:4
相关论文
共 12 条
[1]   PSEUDOPOTENTIALS THAT WORK - FROM H TO PU [J].
BACHELET, GB ;
HAMANN, DR ;
SCHLUTER, M .
PHYSICAL REVIEW B, 1982, 26 (08) :4199-4228
[2]   GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].
CEPERLEY, DM ;
ALDER, BJ .
PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569
[3]   SELF-ASSEMBLING ORGANIC NANOTUBES BASED ON A CYCLIC PEPTIDE ARCHITECTURE [J].
GHADIRI, MR ;
GRANJA, JR ;
MILLIGAN, RA ;
MCREE, DE ;
KHAZANOVICH, N .
NATURE, 1993, 366 (6453) :324-327
[4]   SELF-ASSEMBLED NANOSCALE TUBULAR ENSEMBLES [J].
GHADIRI, MR .
ADVANCED MATERIALS, 1995, 7 (07) :675-677
[5]   NORM-CONSERVING PSEUDOPOTENTIALS [J].
HAMANN, DR ;
SCHLUTER, M ;
CHIANG, C .
PHYSICAL REVIEW LETTERS, 1979, 43 (20) :1494-1497
[6]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[7]   ELECTRON CORRELATION IN SEMICONDUCTORS AND INSULATORS - BAND-GAPS AND QUASI-PARTICLE ENERGIES [J].
HYBERTSEN, MS ;
LOUIE, SG .
PHYSICAL REVIEW B, 1986, 34 (08) :5390-5413
[8]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
[9]   1ST-PRINCIPLES PSEUDOPOTENTIAL TOTAL-ENERGY CALCULATIONS FOR ELEMENTAL, COMPOUND AND ALLOY SEMICONDUCTORS [J].
OSHIYAMA, A ;
SAITO, M .
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1987, 56 (06) :2104-2112
[10]   SELF-INTERACTION CORRECTION TO DENSITY-FUNCTIONAL APPROXIMATIONS FOR MANY-ELECTRON SYSTEMS [J].
PERDEW, JP ;
ZUNGER, A .
PHYSICAL REVIEW B, 1981, 23 (10) :5048-5079