The accuracy and efficiency of electronic-structure methods to understand, predict and
design the properties of materials has driven a new paradigm in research. Simulations can …

Due to their unique structural, electrical, optical, and thermal properties, silicon nanowires
(SiNWs) are attracting immense interest as a promising material for advanced energy …

Light emission from silicon based on quantum confinement in nanoscale structures has
sparked intense research into this field ever since its discovery about 15 years ago. A barrier …

Silicon dominates the electronics industry, but its poor optical properties mean that III–V
compound semiconductors are preferred for photonics applications. Photoluminescence at …

Silicon quantum dots (SiQDs) hold great promise for many future technologies. Silicon is
already at the core of photovoltaics and microelectronics, and SiQDs are capable of efficient …

Crystalline silicon is the most important semiconductor material in the electronics industry.
However, silicon has poor optical properties because of its indirect bandgap, which prevents …

Progress in nanoscience is becoming increasingly dependent on simulation and modelling.
This is due to a combination of three factors: the reduced size of nano-objects, the …

We present x-ray absorption and emission experiments and ab initio calculations showing
that the size of carbon diamond must be reduced to at least 2 nm, in order to observe an …

As the most fundamental material for microelectronics, silicon (Si) has bourgeoned in the
past more than half a century. However, given the indirect bandgap of Si, the use of Si in …

First principles electronic structure simulations are used to study the atomistic detail of the
interaction between organic surfactant molecules and the surfaces of CdSe semiconductor …