Theoretical study on the enhanced nonlinear optical responses of sulflowers and selenosulflowers

PUN Krishna, K Muraleedharan - Chemical Physics Letters, 2024 - Elsevier
To develop highly efficient NLO materials for optoelectronic applications, theoretically,
superhalogen-doped sulflower and selenosulflower were studied. The DFT/B3LYP-D3/6 …

Scandium and titanium doped hexamine for remarkable nonlinear optical properties: a DFT study

M Mazhar, A Asif, N Maqsood, H Ahmad, NHN Khan… - Structural Chemistry, 2024 - Springer
This study explores the nonlinear optical (NLO) properties of hexamine (HMT) doped with
transition metals scandium (Sc) and titanium (Ti), exhibiting enhanced NLO responses for …

Optimization of nonlinear properties of C 6 O 6 Li 6-doped alkalides via group I/III do** for unprecedented charge transfer and advancements in optoelectronics

N Kosar, K Ayub, AA Al-Saadi, M Imran… - Physical Chemistry …, 2025 - pubs.rsc.org
The design and synthesis of nonlinear optical (NLO) materials are rapidly growing fields in
optoelectronics. Considering the high demand for newly designed materials with superior …