Designs and applications of multi-functional covalent organic frameworks in rechargeable batteries

Y An, S Tan, Y Liu, K Zhu, L Hu, Y Rong, Q An - Energy Storage Materials, 2021 - Elsevier
Recently, covalent organic frameworks (COFs) have attracted widespread attention for the
research in rechargeable batteries due to their inerratic porous structure, adjustable porosity …

Review of NLOphoric azo dyes–Developments in hyperpolarizabilities in last two decades

CW Ghanavatkar, VR Mishra, N Sekar - Dyes and Pigments, 2021 - Elsevier
This review gathers the hyperpolarizabilities of monomeric azo dyes studied by various
analytical techniques-electric-field-induced second-harmonic generation (EFISHG), hyper …

Molecular engineering of indenoindene-3-ethylrodanine acceptors with A2-A1-D-A1-A2 architecture for promising fullerene-free organic solar cells

M Khalid, Momina, M Imran, MFU Rehman… - Scientific Reports, 2021 - nature.com
Considering the increased demand and potential of photovoltaic devices in clean,
renewable electrical and hi-tech applications, non-fullerene acceptor (NFA) chromophores …

Transition metal loaded carbon penta-belt SACs for hydrogen and oxygen evolution reactions and identification of systematic DFT method to characterize the main …

A Allangawi, K Ayub, MA Gilani, M Imran… - International Journal of …, 2024 - Elsevier
In the pursuit of efficient hydrogen and oxygen production via water electrolysis, the
deployment of single atom catalysts (SACs) plays a pivotal role in reducing the overpotential …

High drug carrying efficiency of boron-doped Triazine based covalent organic framework toward anti-cancer tegafur; a theoretical perspective

A Allangawi, H Sajid, K Ayub, MA Gilani… - Computational and …, 2023 - Elsevier
The therapeutic potential of Triazines-based six-membered ring covalent organic framework
(COF) and respective boron doped derivative toward anticancer drug ie, Tegafur (TG) is …

Benzothiazole pyrazole containing emissive azo dyes decorated with ESIPT core: Linear and non linear optical properties, Z scan, optical limiting, laser damage …

CW Ghanavatkar, VR Mishra, N Sekar… - Journal of Molecular …, 2020 - Elsevier
Positional isomers of “benzothiazoles-pyrazole based azo dyes containing separate with
ESIPT core” are analyzed for their “linear and non-linear optical (NLO)” properties. Dyes are …

Z‐scheme CeO2‐TiO2@CNT Heterojunction for Efficient Photoredox Removal of Mix Pollutants (CPF, MB, MO, and RhB)

D Kumar, AR Sharma, YK Mishra, SK Sharma - Small, 2024 - Wiley Online Library
Abstract Z‐scheme CeO2‐TiO2@ CNT (CTC) heterojunction is fabricated using
hydrothermal method and evaluated for removing mixed pollutants (MIX‐P) from …

Machine learning aided design of polymer with targeted band gap based on DFT computation

P Xu, T Lu, L Ju, L Tian, M Li, W Lu - The Journal of Physical …, 2021 - ACS Publications
Polymer band gap is one of the most important properties associated with electric
conductivity. In this work, the machine learning model called support vector regression …

Highly active late second-row transition metals loaded B12P12 nanocages as bifunctional single atom catalysts toward hydrogen and oxygen evolution reactions

A Allangawi, K Ayub, MA Gilani, A Ebrahim… - International Journal of …, 2024 - Elsevier
To fully realize the potential of hydrogen and oxygen production via the electrochemical
water splitting process, single atom catalysts (SACs) are recently proposed and applied with …

New Cap-Holed AlP, GaP, and InP Nanotubes

R Mendoza-Báez, D García-Toral, JF Rivas-Silva… - ACS …, 2024 - ACS Publications
The structural, vibrational, and electronic properties of new inorganic X-phosphide
nanotubes (ch-XPNT), with X= Al, Ga, or In and chirality of (5, 5), are investigated. These …