Functionalization and post-functionalization: a step towards polyoxometalate-based materials

A Proust, B Matt, R Villanneau, G Guillemot… - Chemical Society …, 2012 - pubs.rsc.org
Polyoxometalates (POMs) have remarkable properties and a great deal of potential to meet
contemporary societal demands regarding health, environment, energy and information …

Hybrid organic− inorganic polyoxometalate compounds: from structural diversity to applications

A Dolbecq, E Dumas, CR Mayer, P Mialane - Chemical reviews, 2010 - ACS Publications
Polyoxometalates (POMs) are discrete anionic metaloxygen clusters which can be regarded
as soluble oxide fragments. They exhibit a great diversity of sizes, nuclearities, and shapes …

Photovoltaic properties and enhancement in near-infrared light absorption capabilities of acceptor materials for organic solar cell applications: A quantum chemical …

MRSA Janjua - Journal of Physics and Chemistry of Solids, 2022 - Elsevier
More than 22% power conversion efficiency (PCE) of organic solar cells (OSCs) has been
reported with efficient narrow bandgap acceptor materials as the active layers. And end …

How does bridging core modification alter the photovoltaic characteristics of triphenylamine‐based hole transport materials? Theoretical understanding and prediction

MRSA Janjua - Chemistry–A European Journal, 2021 - Wiley Online Library
Perovskite solar cells have gained immense interest from researchers owing to their good
photophysical properties, low‐cost production, and high power conversion efficiencies. Hole …

Structure, properties and reactivity of polyoxometalates: a theoretical perspective

X López, JJ Carbó, C Bo, JM Poblet - Chemical Society Reviews, 2012 - pubs.rsc.org
In the thematic review dedicated to polyoxometalate (POM) chemistry published in Chemical
Reviews in 1998, no contribution was devoted to theory. This is not surprising because …

Optical properties of hybrid organic‐inorganic materials and their applications

S Parola, B Julián‐López, LD Carlos… - Advanced Functional …, 2016 - Wiley Online Library
Research on hybrid inorganic‐organic materials has experienced an explosive growth since
the 1980s, with the expansion of soft inorganic chemistry based processes. Indeed, mild …

Theoretical understanding and role of guest π-bridges in triphenylamine-based donor materials for high-performance solar cells

MRSA Janjua - Energy & Fuels, 2021 - ACS Publications
In recent years, significant attention has been devoted to developing small-molecule-based
donor materials to prepare efficient and highly stable solar cell devices. For this purpose …

Deciphering the role of invited guest bridges in non-fullerene acceptor materials for high performance organic solar cells

MRSA Janjua - Synthetic Metals, 2021 - Elsevier
Fullerene-free acceptor molecules gained great attention of researchers due to their
excellent light harvesting capability and low toxicity rate. Herein, six new molecules have …

Impact of symmetry breaking on the performance of non-fullerene acceptors (NFAs) for photo and thermally stable organic solar cells (OSCs): a DFT-based …

MRSA Janjua - Journal of Photochemistry and Photobiology A …, 2023 - Elsevier
Simultaneous enhancement in the fill factor (FF) and power conversion efficiency (PCE) is a
crucial task for the development of photovoltaic (PV) devices. In addition, symmetrical …

Quantum Mechanical Design and Structure of the Li@B10H14 Basket with a Remarkably Enhanced Electro-Optical Response

S Muhammad, H Xu, Y Liao, Y Kan… - Journal of the American …, 2009 - ACS Publications
An innovative type of lithium decahydroborate (Li@ B10H14) complex with a basketlike
complexant of decaborane (B10H14) has been designed using quantum mechanical …