3 papers
cond-mat.mtrl-sci2026
First-Principles Analysis of Chirality-Induced Spin Selectivity at Molecule-Metal Interfaces in Photoemission
Amos Afugu, Gyanu P. Kafle, Zhen-Fei Liu
Spin-resolved photoelectron spectroscopy (PES) probes chirality-induced spin selectivity (CISS), yet it remains unclear whether the measured spin polarization reflects molecular ch…
cond-mat.mtrl-sci2025
Tunable electronic energy level alignment and exciton diversity in organic-inorganic van der Waals heterostructures
Aurélie Champagne, Olugbenga Adeniran, Jonah B. Haber +3
van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most…
cond-mat.mtrl-sci2025
Phonon-assisted photoluminescence of bilayer MoS from first principles
Gyanu P. Kafle, Zhen-Fei Liu
In indirect band gap materials, phonon-assisted processes are key mechanisms for photoluminescence (PL). Using a first-principles many-body approach, we systematically investigate…