Doping is an important and routine method to tune the properties of semiconductors.
Dopants accumulated at grain boundaries (GBs) can exert a profound influence on …

Grain boundaries (GBs) play a significant role in controlling the transport of mass, heat and
charge. To unravel the mechanisms underpinning the charge carrier scattering at GBs …

Nanocrystal (NC) solids are an exciting class of materials, whose physical properties are
tunable by choice of the NCs as well as the strength of the interparticle coupling. One can …

Solar cells containing a polycrystalline Cu (In, Ga) Se2 absorber outperform the ones
containing a monocrystalline absorber, showing a record efficiency of 22.9%. However, the …

First-principles calculations of model grain boundaries (GBs) in CuInSe 2 and CaGaSe 2
show that cation-terminated GBs have a valence-band offset with respect to the grain interior …

Understanding the mechanisms underpinning the charge carrier scattering at grain
boundaries is crucial to design thermoelectrics and other electronic materials. Yet, this is a …

Bulk nanostructured materials are made from the assembly of octahedral PbSe
nanocrystals. After thermal annealing, the artificial bulk demonstrates a large difference in …

Through first‐principle density functional theory (DFT) calculations, the atomic structure and
electronic properties of intrinsic and passivated Σ3 (114) grain boundaries (GBs) in …

Grain refinement is a successful strategy to depress lattice thermal conductivity and improve
the performance of thermoelectric materials, while it often requires complex processing …

Abstract Cu (In, Ga) Se2 thin‐film solar cells have attracted significant research interest in
recent decades due to their high efficiency in converting solar energy into electricity for …