Related papers: Redox-Governed Charge Doping Dictated by Interfaci…
We present a first-principles approach to compute the transport properties of 2D materials in an accurate and automated framework. We use density-functional perturbation theory in the appropriate bidimensional setup with open-boundary…
Combined first-principles and experimental investigations reveal the underlying mechanism responsible for a drastic change of the conductivity (by 10 orders of magnitude) following hydrogen annealing and UV-irradiation in a transparent…
The band gap of two-dimensional (2D) semiconductors can be efficiently tuned by gate electric field, which is so called the Stark effect. We report that doping, which is essential in realistic devices, will substantially change the Stark…
Ordinary doping by electrons (holes) generally means that the Fermi level shifts towards the conduction band (valence band) and that the conductivity of free carriers increases. Recently, however, some peculiar doping characteristics were…
Nonlinear optical frequency conversion, where optical fields interact with a nonlinear medium to generate new frequencies, is a key phenomenon in modern photonic systems. However, a major challenge with these techniques lies in the…
This work provides a complete rheological characterization of 2D-inks in electric fields with different intensities and orientations to the imposed flow field. 2D nanomaterials used in this study are graphene nanoplatelets, hexagonal…
To understand the superconductivity recently discovered in Nd$_{0.8}$Sr$_{0.2}$NiO$_2$, we carried out LDA+DMFT (local density approximation plus dynamical mean-field theory) and magnetic force response calculations. The on-site correlation…
Density functional theory (DFT) and DFT corrected for on-site Coulomb interactions (DFT+U) calculations are presented on Aluminium doping in bulk TiO$_2$ and the anatase (101) surface. Particular attention is paid to the mobility of oxygen…
The tunability of materials properties by light promises a wealth of future applications in energy conversion and information technology. Strongly correlated materials such as transition-metal dichalcogenides (TMDCs) offer optical control…
Density functional theory (DFT) within the local density approximation (LDA) is used to understand the electronic properties of Na1/3CoO2 and Na1/3CoO2(H2O)4/3, which was recently found to be superconducting1. Comparing the LDA charge…
Charge ordering in doped \cob planes near the commensurate fillings $x = {1/4}$ and 1/3 are considered for $Na_x CoO_2.yH_2O$ and suggested to be competitors to superconductivity, leading to the experimentally seen narrow superconducting…
We report on the ab-plane reflectance of the high temperature superconductor Bi2Sr2CaCu2O8+d (Bi-2212). Samples spanning the doping range from under doped with Tc = 67 K(UD), to optimally doped with Tc = 96 K (OPT), to over doped with Tc =…
Two-dimensional electron systems with fascinating properties exist in multilayers of standard semiconductors, on helium surfaces, and in oxides. Compared to the two-dimensional (2D) electron gases of semiconductors, the 2D electron systems…
Modulation-doped AlGaAs/GaAs heterostructures are utilized extensively in the study of quantum transport in nanostructures, but charge fluctuations associated with remote ionized dopants often produce deleterious effects. Electric…
Hydrogen-bond networks govern molecular structure and function across chemistry, biology and materials science, yet their deterministic control at the atomic scale remains a central challenge (1-9).Here, we directly visualize how an…
In oxygen-doped Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$, the spectra, as observed by tunneling or photoemission spectroscopic measurements, depend on the sample fabrication conditions, such as the temperature and pressure for fabricating the…
The atomic thickness of two-dimensional (2D) materials provides a unique opportunity to control material properties and engineer new functionalities by electrostatic doping. Electrostatic doping has been demonstrated to tune the electrical…
Using a hydrodynamic approach, we show that charge diffusion in two dimensional Coulomb interacting liquids with broken momentum conservation is intrinsically anomalous. The charge relaxation is governed by an overdamped, superdiffusive…
Two-dimensional (2D) ferromagnetic materials are considered as promising candidates for the future generations of spintronic devices. Yet, 2D materials with intrinsic ferromagnetism are scarce. High-throughput first-principles simulations…
Organic light-emitting diodes (OLEDs) devices in the archetype small molecule fluorescent guest-host system tris(8-hydroxyquinolinato) aluminum (Alq$_{3}$) doped with 4-(dicyanomethylene)-2-methyl-6-julolidyl-9-enyl-4H-pyran (DCM2) displays…