Intramolecular charge transfer for optical applications

PK Samanta, R Misra - Journal of Applied Physics, 2023 - pubs.aip.org
Tuning of intramolecular charge transfer (ICT) in a molecule could be used to modulate its
linear and nonlinear optical (NLO) response properties. Over the years, the ICT process in …

Sensing of SO3, SO2, H2S, NO2 and N2O toxic gases through aza-macrocycle via DFT calculations

SA Siddique, H Sajid, MA Gilani, E Ahmed… - Computational and …, 2022 - Elsevier
The toxic gas sensing applications find immense attention in environmental monitoring. In
this research, the adsorption of nitrogen and sulfur-containing gaseous molecules ie., N 2 O …

Do** of superalkali and superhalogen on graphene quantum dot surfaces to enhance nonlinear optical response: An efficient strategy for fabricating novel electro …

A Umar, J Yaqoob, MU Khan, R Hussain… - Journal of Physics and …, 2022 - Elsevier
Graphene quantum dots are evolving as a popular novel class of organic nonlinear optical
(NLO) materials, with applications in optoelectronics, nanocomposites, and many other …

Remarkable static and dynamic NLO response of alkali and superalkali doped macrocyclic [hexa-] thiophene complexes; a DFT approach

H Sajid, F Ullah, S Khan, K Ayub, M Arshad… - RSC …, 2021 - pubs.rsc.org
In this study, the nonlinear optical (NLO) response of alkali metal atom (Li, Na and K) and
their corresponding superalkali (Li3O, Na3O and K3O) doped six membered cyclic …

Unraveling the role of superalkalis in modulating the static and dynamic hyperpolarizabilities of emerging calix [4] arenes

K Khalil, R Ludwig, AM Tighezza, K Ayub… - Physical Chemistry …, 2024 - pubs.rsc.org
Calixarenes, as novel organic materials, can play a pivotal role in the development of high-
performance nonlinear optical materials due to the ease of design and fabrication. In this …

Excellent Static and dynamic hyperpolarizabilities of TM@ C6O6Li6 (TM= Sc, Ti, V, Cr and Mn) complexes to prove their NLO applications

N Kosar, S Wajid, K Ayub, T Mahmood - Optik, 2023 - Elsevier
Static and dynamic hyperpolarizabilities of transition metals doped C 6 O 6 Li 6 (TM@ C 6 O
6 Li 6, TM= Sc, Ti, V, Cr and Mn) organometallic complexes are explored for their nonlinear …

DFT study of superhalogen-doped borophene with enhanced nonlinear optical properties

M Ishaq, RA Shehzad, M Yaseen, S Iqbal… - Journal of Molecular …, 2021 - Springer
The concern of the present study is to investigate the nonlinear optical properties of
superhalogen-doped borophene owing to its broad applications. The first principle study of …

Surface functionalization of sulflower with superhalogens do** to achieve robustly large nonlinear optical response: interactive design computation of new NLO …

A Anwar, R Hussain, MU Khan, J Yaqoob… - Polycyclic Aromatic …, 2024 - Taylor & Francis
Develo** highly effective nonlinear optical (NLO) materials is a cutting-edge field of study.
The desirability of promising NLO materials for optoelectronic and electronic applications …

Highly accurate DFT investigation for triggering the ultra-strong static and dynamic nonlinear optical properties of superalkali doped aminated graphdiyne (NH2-GDY) …

M Asif, H Sajid, K Ayub, MA Gilani, T Mahmood - Polyhedron, 2022 - Elsevier
Kee** in mind the desirability of novel two-dimensional materials with an ultra-high
nonlinear optical (NLO) response for the fabrication of optoelectronic devices, we have …

Enhanced nonlinear optical response of alkalides based on stacked Janus all-cis-1, 2, 3, 4, 5, 6-hexafluorocyclohexane

M Sohaib, H Sajid, S Sarfaraz, MHSA Hamid, MA Gilani… - Heliyon, 2023 - cell.com
Significant efforts are continuously exerted by the scientific community to explore new
strategies to design materials with high nonlinear optical responses. An effective approach …