Dye-sensitized solar cells (DSCs) are celebrating their 30th birthday and they are attracting
a wealth of research efforts aimed at unleashing their full potential. In recent years, DSCs …

It is a considerably promising strategy to produce fuels and high‐value chemicals through
an electrochemical conversion process in the green and sustainable energy systems …

Electrolysis of water can directly produce hydrogen and oxygen, providing the possibility to
expand the production of high purity hydrogen. It consists of two half reactions: anodic …

Theoretically, lanthanum can bond with surface oxygens of ZnTiO3 to form La-O-Ti bonds,
resulting in the change of both the band structure and the electron state of the surface. To …

The search for alternative materials with high dye adsorption capacity, such as methylene
blue (MB), remains the focus of current studies. This computational study focuses on oxides …

Five D-π-AA type of heterocyclic polycyclic aromatic hydrocarbons (hetero-PAHs) organic
molecules with quinacridone (QA) derivatives as the core bridge connected with different …

Abstract Carbon-doped (C-doped) TiO 2 has demonstrated effective photocatalytic activity in
the visible-light region. Here, we make use of density functional theory (DFT) methods to …

Hydrogen production technologies have attracted considerable attention with the increasing
demand for renewable energy. Among them, the combined action of water electrolysis and …

Calculations based on the Density Functional Theory (DFT) were applied to study structural,
electronic and optical properties of pure and C–doped TiO 2 (B) taking into account five …

Insufficient knowledge on multiple processes at the interface of different phases of one-
dimensional titanium dioxide (1D TiO 2) photoanodes hinders the efficiency of solar …