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physics.comp-ph2025
Topological end state and enhanced thermoelectric performance of a supramolecular device
Wenlai Mu, Nisar Muhammad, Huaihong Guo +3
Supramolecular device (SMD) with topological end states and a noncovalent junction is rarely investigated but deemed promising for thermoelectric (TE) applications. We designed a n…
physics.comp-ph2017★ 22 cited
Spontaneous antiferromagnetic order and strain effect on electronic properties of -graphyne
Baojuan Dong, Huaihong Guo, Zhiyong Liu +5
Using hybrid exchange-correlation functional in ab initio density functional theory calculations, we study magnetic properties and strain effect on the electronic properties of …