91 citations · 235 across the 12 of their papers we have counts for
7 papers · 1 filter
Stabilization and self-passivation of symmetrical grain boundaries by mirror symmetry breaking
Ji-Sang Park
While computational methods for the study of point defects in materials have received significant attention, methods for the investigation of grain boundaries require further devel…
Open-Circuit Voltage Deficit in Cu2ZnSnS4 Solar Cells by Interface Band Gap Narrowing
Ji-Sang Park, Sunghyun Kim, Samantha N. Hood +1
There is evidence that interface recombination in Cu2ZnSnS4 solar cells contributes to the open-circuit voltage deficit. Our hybrid density functional theory calculations suggest t…
Lone-pair effect on carrier capture in CuZnSnS solar cells
Sunghyun Kim, Ji-Sang Park, Samantha N. Hood +1
The performance of kesterite thin-film solar cells is limited by a low open-circuit voltage due to defect-mediated electron-hole recombination. We calculate the non-radiative carri…
Stability and electronic properties of planar defects in quaternary I2-II-IV-VI4 semiconductors
Ji-Sang Park, Sunghyun Kim, Aron Walsh
Extended defects such as stacking faults and anti-site domain boundaries can perturb the band edges in CuZnSnS and CuZnSnSe, acting as a weak electron barrier or a…
Quick-start guide for first-principles modelling of semiconductor interfaces
Ji-Sang Park, Young-Kwang Jung, Keith T. Butler +1
Interfaces between dissimilar materials control the transport of energy in a range of technologies including solar cells (electron transport), batteries (ion transport), and thermo…
Role of electron-phonon coupling and thermal expansion on band gaps, carrier mobility, and interfacial offsets in kesterite thin-film solar cells
Bartomeu Monserrat, Ji-Sang Park, Sunghyun Kim +1
The efficiencies of solar cells based on kesterite CuZnSnS (CZTS) and CuZnSnSe (CZTSe) are limited by a low open-circuit voltage due to high rates of non-radiative…
Opposing effects of stacking faults and antisite domain boundaries on the conduction band edge in kesterite quaternary semiconductors
Ji-Sang Park, Sunghyun Kim, Aron Walsh
We investigated stability and the electronic structure of extended defects including anti-site domain boundaries and stacking faults in the kesterite-structured semiconductors, Cu$…