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

Enhancement in the Photovoltaic Properties of Hole Transport Materials by End‐Capped Donor Modifications for Solar Cell Applications

(2021) Muhammad Yasir Mehboob et al.   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

Zinc-Doped Boron Phosphide Nanocluster as Efficient Sensor for SO2

(2020) Shahid Hussain et al.   Journal of Chemistry

Over 15% Efficiency Polymer Solar Cells Enabled by Conformation Tuning of Newly Designed Asymmetric Small‐Molecule Acceptors

(2020) Qing Guo et al.   ADVANCED FUNCTIONAL MATERIALS

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

Molecular designing of high‐performance 3D star‐shaped electron acceptors containing a truxene core for nonfullerene organic solar cells

(2020) Muhammad Usman Khan et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

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

Designing Triphenylamine‐Configured Donor Materials with Promising Photovoltaic Properties for Highly Efficient Organic Solar Cells

(2020) Muhammad Bilal Ahmed Siddique et al.   ChemistrySelect

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

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

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

Efficient designing of triphenylamine-based hole transport materials with outstanding photovoltaic characteristics for organic solar cells

(2020) Riaz Hussain et al.   Journal of Materials Science

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

Fused Benzothiadiazole: A Building Block for n‐Type Organic Acceptor to Achieve High‐Performance Organic Solar Cells

(2019) Jun Yuan et al.   ADVANCED MATERIALS

Recent Advances in Morphology Optimization for Organic Photovoltaics

(2018) Hansol Lee et al.   ADVANCED MATERIALS

Critical review of the molecular design progress in non-fullerene electron acceptors towards commercially viable organic solar cells

(2018) Andrew Wadsworth et al.   CHEMICAL SOCIETY REVIEWS

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

Recent progress in non-fullerene small molecule acceptors in organic solar cells (OSCs)

(2017) Wangqiao Chen et al.   Journal of Materials Chemistry C

Organic Optoelectronic Materials: Mechanisms and Applications

(2016) Oksana Ostroverkhova   CHEMICAL REVIEWS

A perylene diimide (PDI)-based small molecule with tetrahedral configuration as a non-fullerene acceptor for organic solar cells

(2015) Wangqiao Chen 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