Predictive DFT-Based Approaches to Charge and Spin Transport in Single-Molecule Junctions and Two-Dimensional Materials: Successes and Challenges

Su Ying Quek; Khoong Hong Khoo

doi:10.1021/ar4002526

journal article Jun 16, 2014

Predictive DFT-Based Approaches to Charge and Spin Transport in Single-Molecule Junctions and Two-Dimensional Materials: Successes and Challenges

Su Ying Quek

Khoong Hong Khoo

Accounts of Chemical Research Vol. 47 No. 11 pp. 3250-3257 · American Chemical Society (ACS)

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Details

Published: Jun 16, 2014
Vol/Issue: 47(11)
Pages: 3250-3257

Authors

S

Su Ying Quek

Department of Physics, Graphene Research Centre, and Centre for Computational Science and Engineering, National University of Singapore, 2 Science Drive 3, Singapore 117551; Institute of High Performance Computing, Agency for Science Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632

K

Khoong Hong Khoo

Department of Physics, Graphene Research Centre, and Centre for Computational Science and Engineering, National University of Singapore, 2 Science Drive 3, Singapore 117551; Institute of High Performance Computing, Agency for Science Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632

Cite This Article

Su Ying Quek, Khoong Hong Khoo (2014). Predictive DFT-Based Approaches to Charge and Spin Transport in Single-Molecule Junctions and Two-Dimensional Materials: Successes and Challenges. Accounts of Chemical Research, 47(11), 3250-3257. https://doi.org/10.1021/ar4002526

Predictive DFT-Based Approaches to Charge and Spin Transport in Single-Molecule Junctions and Two-Dimensional Materials: Successes and Challenges

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