Our recent collaborative study that combined computational theory and experiment on the alloyed nature of interfaces in lateral 2D heterostructures was recently published in J. Phys. Chem C (click the link for the paper).
"Theoretical Analysis of the Nanoscale Composition, Tip-Enhanced Raman Spectroscopy, and Electronic Properties of Alloys in 2D MoS2–WS2 Heterostructures"
Juan M. Marmolejo-Tejada, J. Pierce Fix, Patrick Kung, Nicholas J. Borys, Martín A. Mosquera
The Journal of Physical Chemistry C 126, 9099-9108 (2022)
http://dx.doi.org/10.1021/acs.jpcc.2c01535
The study was led by postdoctoral scholar Juan Marmolejo-Tejada, and is a joint collaboration with Prof. Martin Mosquera in the Department of Chemistry and Biological Engineering here at MSU. A few significant results emerged from the study. First, we established a quantitative relationship between composition and nanoscale Raman spectroscopy. And then detailed electronic structure calculations reveal how the band alignment between the two 2D materials behaves for atomically sharp interfaces versus alloyed interfaces.
We are excited to continue this collaborative relationship and bridge the gap between experimental and theoretical materials science and quantum materials research!