A dissociative electron attachment cross-section estimator

被引:44
|
作者
Munro, James J. [1 ]
Harrison, Stephen [1 ]
Fujimoto, Milton M. [1 ]
Tennyson, Jonathan [1 ]
机构
[1] UCL, Dept Phys & Astron, London WC1E 6BT, England
关键词
MOLECULAR R-MATRIX; INTERMEDIATE ENERGIES; IONIZATION; SCATTERING; COLLISIONS; IMPACT;
D O I
10.1088/1742-6596/388/1/012013
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
Dissociative electron attachment (DEA) is the major process where molecules are destroyed in low-energy plasmas. DEA cross sections are therefore important for a whole variety of applications but are both hard to measure or compute accurately. A method for estimating DEA cross sections based a simple resonance plus survival model is presented. Test results are presented for DEA of molecular oxygen and molecular chlorine, for which experimental measurements are available for comparison, and SiBr and SiBr2, for which no previous data is available. The estimator has been implemented as part of Quantemol-N expert system which uses the R-matrix method to predict resonance positions and widths.
引用
收藏
页数:8
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