相关论文: Rationally Correcting Impurity Levels Positions Ba…
Tuning of the electronic properties of pre-synthesized colloidal semiconductor nanocrystals (NCs) by doping plays a key role in the prospect of implementing them in printed electronics devices such as transistors, and photodetectors. While…
We show that the optical and electronic properties of nanocrystalline silicon can be efficiently tuned using impurity doping. In particular, we give evidence, by means of ab-initio calculations, that by properly controlling the doping with…
Traditional inorganic semiconductors can be electronically doped with high precision. Conversely, there is still conjecture regarding the assessment of the electronic doping density in metal-halide perovskites, not to mention of a control…
Solar-driven water electrolysis requires high-performance photoelectrodes that exhibit excellent photoabsorption, superior charge transport, and optimized thermal management. In this work, we conducted a first-principles investigation to…
It is well known that the efficiency of a good thermoelectric material should be optimized with respect to doping concentration. However, much less attention has been paid to the optimization of the dopant's energy level. Thermoelectric…
Fuel cells recombine water from H2 and O2 thereby powering e.g. cars or houses with no direct carbon emission. In anion-exchange membrane fuel cells (AEMFCs), to reach high power densities, operating at high pH is an alternative to using…
Modeling of radiation-enhanced diffusion of boron and phosphorus atoms during irradiation of silicon substrates respectively with high- and low-energy protons was carried out. The results obtained confirm the previously arrived conclusion…
A simple mass spectrometric method has been developed to quantify dopant levels in heteronuclear clusters in the gas phase. The method is demonstrated with reference to quantification of the water content in supersonic beams of water-doped…
Most traditional semiconductor materials are based on the control of doping densities to create junctions and thereby functional and efficient electronic and optoelectronic devices. The technology development for halide perovskites had…
It has been observed that impurity doping and/or ion-beam-induced damage in high $T_{c}$ superconductors cause a metal-insulator transition and thereby suppress the critical temperature. Based on our recent theory of the weak localization…
The quasiparticle states around a nonmagnetic impurity in electron-doped iron-based superconductors with spin-density-wave (SDW) order are investigated as a function of doping and impurity scattering strength. In the undoped sample, where a…
We report an x-ray photoemission spectroscopy study of Ca$_2$RuO$_4$ surface-dosed with Cs alkali atoms and C$_{60}$ molecules. Due to its small ionization energy (large electron affinity), deposited Cs atoms (C$_{60}$ molecules) are…
The non-destructive estimation of doping concentrations in semiconductor devices is of paramount importance for many applications ranging from crystal growth, the recent redefinition of the 1kg to defect, and inhomogeneity detection. A…
Advanced theoretical investigations are crucial for understanding the structural growth mechanisms, optoelectronic properties, and photocatalytic activity of photoelectrodes for efficient photoelectrochemical water splitting. In this work,…
The instability of organometal halide perovskites when in contact with water is a serious challenge to their feasibility as solar cell materials. Although studies of moisture exposure have been conducted, an atomistic understanding of the…
A new empirical potential for efficient, large scale molecular dynamics simulation of water is presented. The HIPPO (Hydrogen-like Intermolecular Polarizable POtential) force field is based upon the model electron density of a hydrogen-like…
Doping of semiconductors by impurity atoms enabled their widespread technological application in micro and opto-electronics. For colloidal semiconductor nanocrystals, an emerging family of materials where size, composition and shape-control…
Copper dopants are varyingly reported to enhance photocatalytic activity at titanium dioxide surfaces through uncertain mechanisms. In order to interpret how copper doping might alter the performance of titanium dioxide photocatalysts in…
In organic electronics, conductivity doping is used primarily to eliminate charge injection barriers in organic light-emitting diodes, organic photovoltaics and other electronic devices. Therefore, research on conductivity doping is…
The recombination of charges is an important process in organic photonic devices because the process influences the device characteristics such as the driving voltage, efficiency and lifetime. By combining the dipole trap theory with the…