In silico designing of efficient C-shape non-fullerene acceptor molecules having quinoid structure with remarkable photovoltaic properties for high-performance organic solar cells

End-capped engineering of truxene core based acceptor materials for high performance organic solar cells: theoretical understanding and prediction

(2021) Fatiqa Zafar et al.   OPTICAL AND QUANTUM ELECTRONICS

Quantum chemical design of near‐infrared sensitive fused ring electron acceptors containing selenophene as π‐bridge for high‐performance organic solar cells

(2021) Muhammad Yasir Mehboob et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

End‐Capped Molecular Engineering of S‐Shaped Hepta‐Ring‐Containing Fullerene‐Free Acceptor Molecules with Remarkable Photovoltaic Characteristics for Highly Efficient Organic Solar Cells

(2021) Muhammad Yasir Mehboob et al.   Energy Technology

Thick‐Film Organic Solar Cells Achieving over 11% Efficiency and Nearly 70% Fill Factor at Thickness over 400 nm

(2020) Wei Gao et al.   ADVANCED FUNCTIONAL MATERIALS

Evaluation of acute pulmonary embolism and clot burden on CTPA with deep learning

(2020) Weifang Liu et al.   EUROPEAN RADIOLOGY

High-efficiency organic solar cells with low non-radiative recombination loss and low energetic disorder

(2020) Sha Liu et al.   Nature Photonics

Designing indenothiophene-based acceptor materials with efficient photovoltaic parameters for fullerene-free organic solar cells

(2020) Zainab Afzal et al.   JOURNAL OF MOLECULAR MODELING

Enhancement in Photovoltaic Properties of N , N ‐diethylaniline based Donor Materials by Bridging Core Modifications for Efficient Solar Cells

(2020) Riaz Hussain et al.   ChemistrySelect

Adsorption of Phosgene Gas on Pristine and Copper-Decorated B12N12 Nanocages: A Comparative DFT Study

(2020) Shahid Hussain et al.   ACS Omega

Designing spirobifullerene core based three‐dimensional cross shape acceptor materials with promising photovoltaic properties for high‐efficiency organic solar cells

(2020) Muhammad Usman Khan et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Device Architecture Study in Fullerene-Based Organic Photovoltaics

(2020) Lakshmi N. S. Murthy et al.   Journal of Physical Chemistry C

Exploration of adsorption behavior, electronic nature and NLO response of hydrogen adsorbed Alkali metals (Li, Na and K) encapsulated Al12N12 nanocages

(2020) Riaz Hussain et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Molecular engineering of A–D–C–D–A configured small molecular acceptors (SMAs) with promising photovoltaic properties for high-efficiency fullerene-free organic solar cells

(2020) Riaz Hussain et al.   OPTICAL AND QUANTUM ELECTRONICS

Delocalization of exciton and electron wavefunction in non-fullerene acceptor molecules enables efficient organic solar cells

(2020) Guichuan Zhang et al.   Nature Communications

Energy Level Alignment in Ternary Organic Solar Cells

(2020) Vincent Lami et al.   Advanced Electronic Materials

Designing Novel Zn-Decorated Inorganic B12P12 Nanoclusters with Promising Electronic Properties: A Step Forward toward Efficient CO2 Sensing Materials

(2020) Shahid Hussain et al.   ACS Omega

Understanding the Effect of End Group Halogenation in Tuning Miscibility and Morphology of High‐Performance Small Molecular Acceptors

(2020) Ruijie Ma et al.   Solar RRL

Influences of Quinoid Structures on Stability and Photovoltaic Performance of Nonfullerene Acceptors

(2020) Ruizhi Lv et al.   Solar RRL

Designing of near-infrared sensitive asymmetric small molecular donors for high-efficiency organic solar cells

(2020) Muhammad Yasir Mehboob et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Designing N-phenylaniline-triazol configured donor materials with promising optoelectronic properties for high-efficiency solar cells

(2020) Muhammad Yasir Mehboob et al.   Computational and Theoretical Chemistry

Over 16% efficiency from thick-film organic solar cells

(2020) Jianqiang Qin et al.   Science Bulletin

Efficient Planar Heterojunction Inverted Perovskite Solar Cells with Perovskite Materials Deposited Using an Aqueous Non‐Halide Lead Precursor

(2020) Zobia Irshad et al.   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells

(2020) Muhammad Usman Khan et al.   ACS Omega

Combined effects of urban pollution and hydrological stress on ecosystem functions of Mediterranean streams

(2020) Olatz Pereda et al.   SCIENCE OF THE TOTAL ENVIRONMENT

First theoretical framework of Z-shaped acceptor materials with fused-chrysene core for high performance organic solar cells

(2020) Muhammad Usman Khan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Designing of benzodithiophene core-based small molecular acceptors for efficient non-fullerene organic solar cells

(2020) Muhammad Yasir Mehboob et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Efficient tuning of triphenylamine-based donor materials for high-efficiency organic solar cells

(2020) Sabir Ali Siddique et al.   Computational and Theoretical Chemistry

Designing dithienothiophene (DTT)-based donor materials with efficient photovoltaic parameters for organic solar cells

(2019) Muhammad Ans et al.   JOURNAL OF MOLECULAR MODELING

All Sequential Dip-Coating Processed Perovskite Layers from an Aqueous Lead Precursor for High Efficiency Perovskite Solar Cells

(2018) Muhammad Adnan et al.   Scientific Reports

First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalcones

(2017) Shabbir Muhammad et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Fine Tuning the Optoelectronic Properties of Triphenylamine Based Donor Molecules for Organic Solar Cells

(2017) Muhammad Adnan et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Role of a singlet diradical character in carbon nanomaterials: a novel hot spot for efficient nonlinear optical materials

(2016) Shabbir Muhammad et al.   Nanoscale

How does hybrid bridging core modification enhance the nonlinear optical properties in donor-π-acceptor configuration? A case study of dinitrophenol derivatives

(2014) Shabbir Muhammad et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A new type of organic–inorganic hybrid NLO-phore with large off-diagonal first hyperpolarizability tensors: a two-dimensional approach

(2013) Shabbir Muhammad et al.   DALTON TRANSACTIONS

Quantum chemical design of nonlinear optical materials by sp2-hybridized carbon nanomaterials: issues and opportunities

(2013) Shabbir Muhammad et al.   Journal of Materials Chemistry C

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals

(2007) Bartolomeo Civalleri et al.   CRYSTENGCOMM