4 papers
Revealing Charge Transfer in Defect-Engineered 4H-TaS
Siavash Karbasizadeh, Wooin Yang, Wonhee Ko +4
We present a comprehensive first-principles investigation of defects in 4-TaS. In this layered transition metal dichalcogenide, charge transfer between alternating Mott-in…
Nanoscale Modulation of Flat Bands via Controllable Charge-Density-Waves Defects in 4Hb-TaS2
Wooin Yang, Siavash Karbasizadeh, Hoyeon Jeon +7
Electron correlation is a main driver of exotic quantum phases and their interplay. The 4Hb-TaS2 system, possessing intrinsic heterostructure of 1T- and 1H-TaS2 monolayers, offers…
DFT-Guided Operando Raman Characterization of Ni-Based Phases Relevant to Electrochemical Systems
Harol Moreno Fernández, Siavash Karbasizadeh, Esmaeil Adabifiroozjaei +3
We present a phase-resolved investigation of Ni-based oxides and hydroxides relevant to the oxygen evolution reaction (OER), combining ground-state DFT+U calculations with operando…
Large Bandgap Observed on the Surfaces of EuZn2As2 Single Crystals
Dejia Kong, Siavash Karbasizadeh, Ganesh Narasimha +7
EuM2As2 (M = Zn, Cd, In, Sn etc.) is an excellent material system for studying topological properties, which can be easily tuned by magnetism involved. Theoretical calculations pre…