Sidra Manzoor
NFC Institute of Engineering and Technology, University of Agriculture Faisalabad
Research areas: Engineering · Electrical and Electronic Engineering · Organic Electronics and Photovoltaics · Perovskite Materials and Applications · Organic Light-Emitting Diodes Research
0009-0006-4081-633X
About
Ph.D. in Computational Chemistry, specializing in the theoretical investigation of
Organic and Perovskite solar cells using DFT. My research mainly focuses on Understanding the electronic structure, optical properties, charge transport mechanisms, and Stability of photovoltaic materials to enhance their efficiency and durability. With expertise in computational tools such as Gaussian and VASP, my research encompasses solar materials, NLOs, OLEDs, Drug interactions, hydrogen evolution reaction (HER), and single-atom catalysts (SACs), and also hands-on experience in Organometallic synthesis.
Employment
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National Fertilizer Corporation Institute of Engineering and Technology Visiting Lecturer2025 - Present
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University of Agriculture Faisalabad PHD Research graduate2022 - 2026
Education
Education history is unavailable.
Projects & Funding
Projects & funding information is unavailable.
Publications (17)
- DFT and multivariate statistical analysis for the rational design of DTP-based hole transport materials Save
- Theoretical end-cap tailoring of tripodal triazatruxene-based hole transport materials toward enhanced perovskite solar cell performance Save
- Nature‐Inspired Catalysts for Hydrogen Activation and Storage: Biomimetic Strategies for Sustainable Hydrogen Energy Save
- Toward autonomous discovery in small-molecule organic photovoltaics: A review integrating artificial intelligence and machine learning within the molecular design landscape Save
- Ferrocene-derived iron complexes as antimicrobial agents: a coordination-chemistry perspective with a semi-synthetic strategy Save
- Unveiling the potential of π-conjugated 2TT-R non-fullerene alternatives for multifunctional optoelectronic applications: A first-principles study Save
- Charge transport and optical properties tuning via DFT/TD-DFT modeling of SAM-driven hole-selective layers for inverted perovskite solar cells Save
- Waste-derived nanocomposites as dual-function materials for water and energy sustainability Save
- First‐Principles Exploration of Charge Transfer and Optoelectronic Properties in Anthracene‐Based Hole Transporters for Perovskite Solar Cells: Insights Supported by Device‐Level Simulations Save
- Exploring structure–function synergy in multi-fused A–D–A systems for advanced organic electronics Save
- Harnessing High-Valent Metals for Catalytic Oxidation: Next-Gen Strategies in Water Remediation and Circular Chemistry Save
- First Principles’ Insight Into Electrochemical Sensing for Persistent Organic Pollutants: A Case Study on Organochlorines and Organophosphates Using C4N3-Based Nanosensors Save
- Harnessing High-Valent Metals for Catalytic Oxidation: Next-Gen Strategies in Water Remediation and Circular Chemistry Save
- Cutting-edge DFT-driven design of end-capped acceptor-modified hole transporters: Unraveling next-generation optoelectronic properties for high-performance perovskite photovoltaics Save
- Theoretical investigation of hole transport and donor materials derived from anthracene with improved optoelectronic characteristics for perovskite and organic solar cell applications Save
- An end-capped acceptor modification of anthracene-based hole transport materials to study optoelectronic properties for high-performance perovskite solar cells Save
- A DFT approach for finding therapeutic potential of graphyne as a nanocarrier in the doxorubicin drug delivery to treat cancer Save