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physics.app-ph2022
Structural order promotes efficient separation of delocalized charges at molecular heterojunctions
Xiangkun Jia, Lorenzo Soprani, Giacomo Londi +24
The energetic landscape at the interface between electron donating and accepting molecular materials favors efficient conversion of intermolecular charge-transfer states (CTS) into…
cond-mat.mtrl-sci2022★ 17 cited
Universal polarization energies for defects in monolayer, surface and bulk hexagonal boron nitride : A finite-size fragments GW approach
David Amblard, Gabriele D'Avino, Ivan Duchemin +1
We study defect energy levels in hexagonal boron-nitride with varying number of layers using a fragment many-body formalism, taking as examples the paradigmatic carbon-dimer a…