Quantum chemical designing of banana-shaped acceptor materials with outstanding photovoltaic properties for high-performance non-fullerene organic solar cells

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

Designing of U‐shaped acceptor molecules for indoor and outdoor organic solar cell applications

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

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

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

Exploring Charge Dissociation in a Statistical Sample of Active-Layer Models of an Organic Solar Cell

(2020) Zhi-Wen Zhao 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

Conformation‐Tuning Effect of Asymmetric Small Molecule Acceptors on Molecular Packing, Interaction, and Photovoltaic Performance

(2020) Zhenghui Luo et al.   Small

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

Fine-Tuning Energy Levels via Asymmetric End Groups Enables Polymer Solar Cells with Efficiencies over 17%

(2020) Zhenghui Luo et al.   Joule

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

Long-range exciton diffusion in molecular non-fullerene acceptors

(2020) Yuliar Firdaus et al.   Nature Communications

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

High-Efficiency Thermal-Annealing-Free Organic Solar Cells Based on an Asymmetric Acceptor with Improved Thermal and Air Stability

(2020) Jinsheng Zhang et al.   ACS Applied Materials & Interfaces

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

Isomerization of Perylene Diimide Based Acceptors Enabling High‐Performance Nonfullerene Organic Solar Cells with Excellent Fill Factor

(2019) Zhenghui Luo et al.   Advanced Science

Achieving over 16% efficiency for single-junction organic solar cells

(2019) Baobing Fan et al.   Science China-Chemistry

Single‐Junction Polymer Solar Cells with 16.35% Efficiency Enabled by a Platinum(II) Complexation Strategy

(2019) Xiaopeng Xu et al.   ADVANCED MATERIALS

Over 16% efficiency organic photovoltaic cells enabled by a chlorinated acceptor with increased open-circuit voltages

(2019) Yong Cui et al.   Nature Communications

17% Efficient Organic Solar Cells Based on Liquid Exfoliated WS 2 as a Replacement for PEDOT:PSS

(2019) Yuanbao Lin et al.   ADVANCED MATERIALS

Nonfullerene Acceptor Molecules for Bulk Heterojunction Organic Solar Cells

(2018) Guangye Zhang et al.   CHEMICAL REVIEWS

A low cost and high performance polymer donor material for polymer solar cells

(2018) Chenkai Sun et al.   Nature Communications

Non-fullerene acceptors for organic solar cells

(2018) Cenqi Yan et al.   Nature Reviews Materials

Suppression of Recombination Energy Losses by Decreasing the Energetic Offsets in Perylene Diimide-Based Nonfullerene Organic Solar Cells

(2018) Huiting Fu et al.   ACS Energy Letters

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