Advances in phenothiazine and phenoxazine-based electron donors for organic dye-sensitized solar cells

SN Al-Ghamdi, HA Al-Ghamdi, RM El-Shishtawy… - Dyes and …, 2021 - Elsevier
Dye-sensitized solar cells (DSSCs) as an elegant environmental solution for renewable
energy production at a lower cost than conventional silicon solar cells have been of great …

Dimension‐Matched Zinc Phthalocyanine/BiVO4 Ultrathin Nanocomposites for CO2 Reduction as Efficient Wide‐Visible‐Light‐Driven Photocatalysts via a Cascade …

J Bian, J Feng, Z Zhang, Z Li, Y Zhang, Y Liu… - Angewandte …, 2019 - Wiley Online Library
Cascade charge transfer was realized by a H‐bond linked zinc phthalocyanine/BiVO4
nanosheet (ZnPc/BVNS) composite, which subsequently works as an efficient wide‐visible …

Influence of defects on excited-state dynamics in lead halide perovskites: time-domain ab initio studies

W Li, R Long, J Tang, OV Prezhdo - The journal of physical …, 2019 - ACS Publications
This Perspective summarizes recent research into the excited-state dynamics in lead halide
perovskites that are of paramount importance for photovoltaic and photocatalytic …

High-selective sensitive NH3 gas sensor: A density functional theory study

W Wei, W Li, L Wang - Sensors and Actuators B: Chemical, 2018 - Elsevier
P-type metal oxide semiconductor with extraordinary surface reactions is highly active for
gas sensing reactions. However, presenting large active sites in materials surface for …

Fine-tuning π-spacer for high efficiency performance DSSC: a theoretical exploration with D− π− A based organic dye

LJ He, J Chen, FQ Bai, R Jia, J Wang, HX Zhang - Dyes and Pigments, 2017 - Elsevier
Based on density functional theory (DFT) and time-dependent DFT (TD-DFT) approaches, a
series of triphenylamine based organic dyes that modified by electron-withdrawing (EW) or …

Robust electrografted interfaces on metal oxides for electrocatalysis–an in situ spectroelectrochemical study

TGAA Harris, R Götz, P Wrzolek, V Davis… - Journal of Materials …, 2018 - pubs.rsc.org
Diazonium salts were electrografted onto transparent conductive oxides as stable
alternatives to conventional anchoring groups for the surface immobilisation of molecular …

Promising pyridinium ylide based anchors towards high-efficiency dyes for dye-sensitized solar cells applications: Insights from theoretical investigations

TF Lu, W Li, J Chen, J Tang, FQ Bai, HX Zhang - Electrochimica Acta, 2018 - Elsevier
We theoretically examine a series of anchors for dye-sensitized solar cells application, with
particular attention was paid to the potential of novel pyridinium ylide based anchors. The …

Highly-efficient sensitizer with zinc porphyrin as building block: Insights from DFT calculations

LJ He, Y Sun, W Li, J Wang, MX Song, HX Zhang - Solar Energy, 2018 - Elsevier
To further improve the photoelectronic conversion efficiency of dye-sensitized solar cell, a
series of novel D-π-A dyes with Zn porphyrin as building block are evaluated with theoretical …

Investigation of triphenylamine-based sensitizer characteristics and adsorption behavior onto ZnTiO3 perovskite (1 0 1) surfaces for dye-sensitized solar cells using …

K Cherifi, A Cheknane, HS Hilal, A Benghia… - Chemical Physics, 2020 - Elsevier
Four different Triphenylamine-based dyes, named as TPA-1, TPA-2, TPA-3 and TPA-4 as
shown below, with substituents containing different linkages, earlier described inTiO 2 dye …

Dependence of nonadiabatic couplings with Kohn–Sham orbitals on the choice of density functional: pure vs hybrid

Y Lin, AV Akimov - The Journal of Physical Chemistry A, 2016 - ACS Publications
Nonadiabatic molecular dynamics (NA-MD) is an extremely useful approach to model
electron transfer dynamics in molecular and solid state systems. The performance of NA-MD …