Energy Averaged Bond Currents for Device Level Design of Molecular Scale Conductors
Energy averaged bond currents assist in the understanding of current transmission in molecular electronic devices and offer an intuitive, yet rigorous, approach to designing nanoscale conductors. Recent research has employed bond current visualization to investigate the changes in transmission pathw...
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| Published in: | Journal of physical chemistry. C Vol. 128; no. 16; pp. 6991 - 6996 |
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| Main Authors: | , , |
| Format: | Journal Article |
| Language: | English |
| Published: |
American Chemical Society
25-04-2024
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| Subjects: | |
| Online Access: | Get full text |
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| Summary: | Energy averaged bond currents assist in the understanding of current transmission in molecular electronic devices and offer an intuitive, yet rigorous, approach to designing nanoscale conductors. Recent research has employed bond current visualization to investigate the changes in transmission pathways induced by boron and nitrogen substitutional doping in graphene nanoribbons. The results identify favored current pathways created by patterned substitutional dopants, especially at low bias voltages, and may be used to tailor the system performance. Selective trimming of the conductors may be used to modify the device geometry while preserving the principal current pathways of interest. Bond current analysis offers a holistic understanding of device performance and therefore serves as a valuable complement to conventional modeling tools, such as band structure analysis. The method maintains a focus on device level performance objectives, while offering intuitive insight into the current distribution patterns which underlie integrated performance metrics. |
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| ISSN: | 1932-7447 1932-7455 |
| DOI: | 10.1021/acs.jpcc.4c01212 |