Organic (opto) electronic materials have received considerable attention due to their
applications in thin-film-transistors, light-emitting diodes, solar cells, sensors, photorefractive …

Conspectus Organic semiconductors (OSs) are an exciting class of materials that have
enabled disruptive technologies in this century including large-area electronics, flexible …

This article reviews the theory of electron-phonon interactions in solids from the point of view
of ab initio calculations. While the electron-phonon interaction has been studied for almost a …

The booming field of molecular electronics has fostered a surge of computational research
on electronic properties of organic molecular solids. In particular, with respect to a …

Charge transport in crystalline organic semiconductors is intrinsically limited by the
presence of large thermal molecular motions, which are a direct consequence of the weak …

Charge transfer complexes are interfacial charge pairs residing at the donor–acceptor
heterointerface in organic solar cell. Experimental evidence shows that it is crucial for the …

Metal halide perovskites (MHPs) have rapidly emerged as leading contenders in
photovoltaic technology and other optoelectronic applications owing to their outstanding …

The energy band structure provides crucial information on charge transport behaviour in
organic semiconductors, such as effective mass, transfer integrals and electron–phonon …

We develop a formalism and a computational method to study polarons in insulators and
semiconductors from first principles. Unlike in standard calculations requiring large …

Do** plays a crucial role in semiconductor physics, with n-do** being controlled by the
ionization energy of the impurity relative to the conduction band edge. In organic …