Electronic states for excess electrons in polyethylene compared to long-chain alkanes

被引:25
作者
Cubero, D
Quirke, N [1 ]
Coker, DF
机构
[1] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AY, England
[2] Boston Univ, Dept Chem, Boston, MA 02215 USA
基金
英国工程与自然科学研究理事会;
关键词
D O I
10.1016/S0009-2614(03)00046-0
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We use a pseudopotential model to calculate the electronic states available to an excess electron in crystalline and amorphous regions of model polyethlyene as well as the molecular crystal of the linear alkane C27H56. It is shown that alkane crystals of whatever chain length are not representative of crystalline polyethylene (PE) although they are often considered to be so. We discuss the implications for electron transport in PE. (C) 2003 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:21 / 25
页数:5
相关论文
共 34 条
[1]   Models of electron trapping and transport in polyethylene: Current-voltage characteristics [J].
Anta, JA ;
Marcelli, G ;
Meunier, M ;
Quirke, N .
JOURNAL OF APPLIED PHYSICS, 2002, 92 (02) :1002-1008
[2]  
Ashcroft N. W., 1973, SOLID STATE PHYS
[3]   CORRELATION OF EXPERIMENTAL AND THEORETICAL ELECTRON BAND ENERGIES OF POLYETHYLENE [J].
BLOOR, D .
CHEMICAL PHYSICS LETTERS, 1976, 40 (02) :323-325
[4]  
Bradley C. J., 1972, MATH THEORY SYMMETRY
[5]   The crystal structure of long-chain normal paraffin hydrocarbons. The "shape" of the > CH2 group. [J].
Bunn, CW .
TRANSACTIONS OF THE FARADAY SOCIETY, 1939, 35 (01) :0482-0490
[6]   DETECTION OF HOT ELECTRON-INDUCED RADIATION-DAMAGE IN ORGANIC DIELECTRICS BY EXOELECTRON EMISSION FROM THIN-FILMS [J].
CARTIER, E ;
PFLUGER, P .
IEEE TRANSACTIONS ON ELECTRICAL INSULATION, 1987, 22 (02) :123-128
[7]  
CUBERO D, UNPUB
[8]   Normal alkanes, multialkane synthetic model mixtures, and real petroleum waxes: Crystallographic structures, thermodynamic properties, and crystallization [J].
Dirand, M ;
Bouroukba, M ;
Chevallier, V ;
Petitjean, D ;
Behar, E ;
Ruffier-Meray, V .
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 2002, 47 (02) :115-143
[9]  
Dissado L. A., 1992, ELECT DEGRADATION BR
[10]   COMPLETE ELECTRONIC-STRUCTURE OF ORIENTED FILMS OF HEXATRIACONTANE [J].
DUDDE, R ;
REIHL, B .
CHEMICAL PHYSICS LETTERS, 1992, 196 (1-2) :91-96