Please use this identifier to cite or link to this item: https://doi.org/10.1016/S0009-2614(03)00576-1
Title: Mobility and conductivity of the proton transfer in hydrogen-bonded molecular systems
Authors: Pang, X.-F.
Feng, Y.-P. 
Issue Date: 20-May-2003
Citation: Pang, X.-F., Feng, Y.-P. (2003-05-20). Mobility and conductivity of the proton transfer in hydrogen-bonded molecular systems. Chemical Physics Letters 373 (3-4) : 392-401. ScholarBank@NUS Repository. https://doi.org/10.1016/S0009-2614(03)00576-1
Abstract: We calculate the mobility and conductivity of the proton transfer in hydrogen-bonded systems by quantum mechanics. We first give the equation of change of velocity of the kink-antikink pair resulting from proton transfer, from the Hamiltonian in our model. Utilizing the values of the physical parameters we finally find out the mobility of kink-antikink pairs and the electrical conductivity due to the proton transfer in an externally applied electric-field in the systems. These are about (6.5-6.9)×10-6 m2/V s and (7.6-8.1)×10-3/(Ω m) for ice, respectively, which are basically consistent with experimental data. © 2003 Elsevier Science B.V. All rights reserved.
Source Title: Chemical Physics Letters
URI: http://scholarbank.nus.edu.sg/handle/10635/97227
ISSN: 00092614
DOI: 10.1016/S0009-2614(03)00576-1
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