Solar energy conversion using first row d-block metal coordination compound sensitizers and redox mediators

CE Housecroft, EC Constable - Chemical Science, 2022 - pubs.rsc.org
The use of renewable energy is essential for the future of the Earth, and solar photons are
the ultimate source of energy to satisfy the ever-increasing global energy demands …

Simultaneous Enhancement of Charge Separation and Hole Transportation in a W:α-Fe2O3/MoS2 Photoanode: A Collaborative Approach of MoS2 as a …

Z Masoumi, M Tayebi, M Kolaei, A Tayyebi… - … Applied Materials & …, 2021 - ACS Publications
In this study, a facile approach has been successfully applied to synthesize a W-doped
Fe2O3/MoS2 core–shell electrode with unique nanostructure modifications for …

Predicting the dye-sensitized solar cell performance of novel linear carbon chain-based dyes: insights from DFT simulations

G Consiglio, A Gorcyński, S Petralia, G Forte - Dalton Transactions, 2023 - pubs.rsc.org
In this paper, we employ density functional theory (DFT) simulations to predict the energy
conversion efficiency of a novel class of organic dyes based on linear carbon chain (LCC) …

Photovoltaic performance and power conversion efficiency prediction of double fence porphyrins

C Yang, P Song, RM El-Shishtawy, F Ma… - Physical Chemistry …, 2021 - pubs.rsc.org
To explore high efficiency dye-sensitized solar cells (DSSCs), two experimentally derived
(single fence and double fence porphyrins) and two theoretically designed zinc porphyrin …

Optimizing photovoltaic performance of squaraine derivative dyes: a DFT study on different anchoring groups

G Consiglio, A Gorczyński, G Spoto, S Petralia… - RSC advances, 2024 - pubs.rsc.org
In this study, we designed squaraine-based dyes with a 2-amino pyrrole donor unit and
acene groups like anthracene and pentacene. These dyes incorporate three different …

The dynamics of light-induced interfacial charge transfer of different dyes in dye-sensitized solar cells studied by ab initio molecular dynamics

L He, Y Guo, L Kloo - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
The charge-transport dynamics at the dye–TiO2 interface plays a vital role for the resulting
power conversion efficiency (PCE) of dye sensitized solar cells (DSSCs). In this work, we …

Enhanced efficiency of dye-sensitized solar cells based on polymer-assisted dispersion of platinum nanoparticles/carbon nanotubes nanohybrid films as FTO-free …

JW Li, YS Chen, YF Chen, JX Chen, CFJ Kuo, LY Chen… - Polymers, 2021 - mdpi.com
In this study, polymer-assisted dispersants are used to stabilize the nanohybrids of platinum
nanoparticles (PtNPs)/carbon nanotubes (CNTs) through non-covalent bond forces. These …

[HTML][HTML] The impact of carboxylic acid anchoring groups on the optoelectronic and nonlinear optical properties of Ru complex dyes: A computational approach

S Samiee - Journal of Saudi Chemical Society, 2024 - Elsevier
In this study, density functional theory (DFT) and time-dependent DFT (TD-DFT) methods
were used to analyze the effects of varying the number and positions of carboxylic acid …

The effect of the central metal ion on photovoltaic properties of bacteriochlorin derivatives

S Peymani, M Izadyar, F Arkan - Materials Today Communications, 2021 - Elsevier
A series of bacteriochlorin bisimides having different metal ions was designed. Their
structural properties, quantum chemistry reactivity indices, optical, and photovoltaic …

The effect of π-spacer on DA'-π-a system organic dyes for dye-sensitized solar cells (DSSCs) technology: a computational approach”

MK Sanama, I Abubakari… - Oxford Open Materials …, 2024 - academic.oup.com
The globe is consuming more energy as a result of population growth and economic
development. One of the most important forms of renewable energy for human usage is …