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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…
cond-mat.mtrl-sci2025★ 1 cited
QR-code: An open-source program for double resonance Raman spectra
Jianqi Huang, Renhui Liu, Ye Zhang +4
We present an open-source program, QR-code, that computes double-resonance Raman (DRR) spectra using first-principles calculations. QR-code can calculate not only two-phono…