Recent progresses in real-time local-basis implementation of time dependent density functional theory for electron–nucleus dynamics

W Ma, J Zhang, L Yan, Y Jiao, Y Gao, S Meng - Computational Materials …, 2016 - Elsevier
We present an efficient real-time time-dependent density functional theory (TDDFT) method
for large-scale accurate simulations of electron–nucleus dynamics, as implemented in the …

Kinetic Analysis of TiO2-Based Photocatalysts Sensitized with Chlorophyll-Derived Dimers for Light-Driven Hydrogen Evolution

T Zheng, A Li, H Tu, L Pan, S Sasaki, XF Wang - Materials Today Energy, 2024 - Elsevier
This study focuses on the kinetic analysis of chlorophyll-based dimer photosensitizers
adsorbed on Pt/TiO 2 photocatalyst for light-driven hydrogen evolution. To elucidate the …

Decrease of back recombination rate in CdS quantum dots sensitized solar cells using reduced graphene oxide

A Badawi - Chinese Physics B, 2015 - iopscience.iop.org
The photovoltaic performance of CdS quantum dots sensitized solar cells (QDSSCs) using
the 0.2 wt% of reduced graphene oxide and TiO 2 nanoparticles (RGO+ TiO 2 …

Influence of Polar-PVDF Interfaces Upon Organic Ferroelectric Dye-Sensitized Solar Cell Characteristics

G Kanimozhi, R Chikkonda, RS Babu… - Journal of Electronic …, 2024 - Springer
Recombination of charge carriers is the major issue for the sustainable operation of dye-
sensitized solar cells (DSSC). Generally, an external voltage bias is necessary to efficiently …

Dye-sensitized solar cell module realized photovoltaic and photothermal highly efficient conversion via three-dimensional printing technology

QZ Huang, YQ Zhu, JF Shi, LL Wang… - Chinese …, 2017 - iopscience.iop.org
Abstract Three-dimensional (3D) printing technology is employed to improve the
photovoltaic and photothermal conversion efficiency of dye-sensitized solar cell (DSC) …

Charge recombination mechanism to explain the negative capacitance in dye-sensitized solar cells

LF Feng, K Zhao, HT Dai, SG Wang… - Chinese Physics B, 2016 - iopscience.iop.org
Negative capacitance (NC) in dye-sensitized solar cells (DSCs) has been confirmed
experimentally. In this work, the recombination behavior of carriers in DSC with …

Conversion Efficiency Enhancement of Multi-crystalline Si Solar Cells by Using a Micro-structured Junction

L Li, D Yu, SL Wu, W Wang, WC Liu, XS Wu… - Chinese Physics …, 2015 - iopscience.iop.org
A new approach for enhancing the conversion efficiency of solar cells is proposed. A surface
with columnar structures is employed on the fabrication of multi-crystalline silicon solar cells …

Electron quantum dynamics in atom-ion interaction

H Sabzyan, MJ Jenabi - The Journal of Chemical Physics, 2016 - pubs.aip.org
Electron transfer (ET) process and its dependence on the system parameters are
investigated by solving two-dimensional time-dependent Schrödinger equation numerically …

[PDF][PDF] Deriving an expression for electron-reflection-coefficient at metal-semiconductor-interface of dye-sensitized solar cells

L Garba - 2018 - academicjournals.org
This work aims to derive an expression to describe the reflection coefficient of an escape
electron from metal-semiconductor interface of DSSC. The derivation was obtained by …

[PDF][PDF] Taking control of charge transfer: strategic design for solar cells

A Monti - Future, 2012 - scholarlypublications …
One of the biggest scientific challenges of our times is to achieve direct conversion of solar
energy into electricity or solar fuel, efficiently and cost effectively. This will be needed in the …