Dye-sensitized solar cells strike back
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 …
a wealth of research efforts aimed at unleashing their full potential. In recent years, DSCs …
Ultrafast electron dynamics in solar energy conversion
Electrons are the workhorses of solar energy conversion. Conversion of the energy of light to
electricity in photovoltaics, or to energy-rich molecules (solar fuel) through photocatalytic …
electricity in photovoltaics, or to energy-rich molecules (solar fuel) through photocatalytic …
Arylamine organic dyes for dye-sensitized solar cells
M Liang, J Chen - Chemical Society Reviews, 2013 - pubs.rsc.org
Arylamine organic dyes with donor (D), π-bridge (π) and acceptor (A) moieties for dye-
sensitized solar cells (DSCs) have received great attention in the last decade because of …
sensitized solar cells (DSCs) have received great attention in the last decade because of …
The PYXAID program for non-adiabatic molecular dynamics in condensed matter systems
This work introduces the PYXAID program, developed for non-adiabatic molecular dynamics
simulations in condensed matter systems. By applying the classical path approximation to …
simulations in condensed matter systems. By applying the classical path approximation to …
Dye aggregation in dye-sensitized solar cells
Dye aggregation dictates structural and optoelectronic properties of photoelectrodes in dye-
sensitized solar cells (DSSCs), thereby playing an essential role in their photovoltaic …
sensitized solar cells (DSSCs), thereby playing an essential role in their photovoltaic …
Applications of porphyrins in emerging energy conversion technologies
Porphyrins are composed of four pyrrolic subunits interconnected via methine bridges to
form fully conjugated 18 π electron-containing aromatic macrocycles. This macrocyclic …
form fully conjugated 18 π electron-containing aromatic macrocycles. This macrocyclic …
Advanced capabilities of the PYXAID program: integration schemes, decoherence effects, multiexcitonic states, and field-matter interaction
In our previous work [J. Chem. Theory Comput. 2013, 9, 4959], we introduced the PYXAID
program, developed for the purpose of performing nonadiabatic molecular dynamics …
program, developed for the purpose of performing nonadiabatic molecular dynamics …
Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials
Driven by growing concerns for environmental and energy issues, interest in semiconductor-
based heterogeneous photocatalysis has increased considerably over the last decades …
based heterogeneous photocatalysis has increased considerably over the last decades …
Theoretical insights into photoinduced charge transfer and catalysis at oxide interfaces
As the world's population increases and substantial industrial growth continues, the energy
demands of society increase rapidly. Although the earth's oil, natural gas, and coal deposits …
demands of society increase rapidly. Although the earth's oil, natural gas, and coal deposits …
Dye chemistry with time-dependent density functional theory
In this perspective, we present an overview of the determination of excited-state properties of
“real-life” dyes, and notably of their optical absorption and emission spectra, performed …
“real-life” dyes, and notably of their optical absorption and emission spectra, performed …