相关论文: A Crown-Ether Loop-Derivatized Oligothiophene Doub…
In this article, based on first-principles calculations, we systematically study functionalization induced diamonization of graphene bilayer and graphene-BN hybrid bilayer. With single-side functionalization, the diamondized structures are…
In contrast to the commonly used spherical Janus particles, here we used engineered Janus particles that are fabricated using photolithography technique for precise control over their geometry and coated regions. Specifically, we studied a…
Utilizing the strengths of nitrogen doped graphene quantum dot (N-GQD) as a substrate, here in, we have shown that one can stabilize the catalytically more active planar Au 20 (P-Au 20 ) compared to the thermodynamically more stable…
This paper presents the phase stability, opto-electronic and thermo-electric behavior of X2AuYZ6 (X = Cs, Rb; Z = Cl/Br/I) double perovskite halides by using the DFT method. The compounds belong to the cubic arrangement and are verified by…
We report magnetic properties of a 4f-honeycomb iodide SmI3 made up of edge-shared network of SmI6 octahedra. High temperature magnetic susceptibility indicates {\Gamma}7 Kramers doublet ground state of Sm3+ (4f5) ions stabilized by the…
We study the optical contrast for single and multilayer graphene deposited on a Au/SiO2/Si substrate. Our results prove that optical microscopy allows for easy and quick localization, identification and counting of graphene layers.…
A lateral heterojunction of topological insulator Sb2Te3/Bi2Te3 was successfully synthesized using a two-step solvothermal method. The two crystalline components were separated well by a sharp lattice-matched interface when the optimized…
We demonstrate that recent experimental data (E. Castel et al J.Phys. Cond. Mat. {\bf 21} (2009), 452201) on tungsten bronze compound (TBC) Ba$_2$Pr$_x$Nd$_{1-x}$FeNb$_4$O$_{15}$ can be well explained in our model predicting a crossover…
We present a theoretical analysis of the electron spin decoherence in single Nitrogen-Vacancy defects in ultra-pure diamond. The electron spin decoherence is due to the interactions with Carbon-13 nuclear spins in the diamond lattice. Our…
The search for miniaturized components for nonlinear optical processes needs a way to overcome the efficiency loss due to the effective size reduction of the active medium. We investigate here a combination of a nanosized nonlinear…
In-situ high pressure Raman spectroscopy is used to study monolayer, bilayer and few-layer graphene samples supported on silicon in a diamond anvil cell to 3.5 GPa. The results show that monolayer graphene adheres to the silicon substrate…
We study the electronic structure and correlated phases of twisted bilayers of platinum diselenide using large-scale ab initio simulations combined with the functional renormalization group. PtSe$_2$ is a group-X transition metal…
In the search for MgB2-like phonon-mediated superconductors we have carried out a systematic density functional theory study of the Ca-B system, isoelectronic to Mg-B, at ambient and gigapascal pressures. A remarkable variety of candidate…
Metal oxide thin-film transistors are fast becoming a ubiquitous technology for application in driving backplanes of organic light-emitting diode displays. Currently all commercial products rely on metal oxides processed via physical vapor…
Colour centre ensembles in diamond have been the subject of intensive investigation for many applications including single photon sources for quantum communication, quantum computation with optical inputs and outputs, and magnetic field…
Using scanning tunneling microscopy and spectroscopy we investigate the adsorption properties and ring-closing reaction of a diarylethene derivative (C5F-4Py) on a Ag(111) surface. We identify an electron-induced reaction mechanism, with a…
The incorporation of Eu into the diamond lattice is investigated in a combined theoretical-experimental study. The large size of the Eu ion induces a strain on the host lattice, which is minimal for the Eu-vacancy complex. The oxidation…
We obtain monatomic glass formers in simulations by modifying the tetrahedral character in a silicon potential to explore a triple point zone between potentials favoring diamond (dc) and bcc crystals. dc crystallization is always preceded…
The structure of the electrical double layer (EDL) formed near graphene in aqueous environments strongly impacts its performance for a plethora of applications, including capacitive deionization. In particular, adsorption and organization…
We present a method for controlled connection of gold electrodes with dsDNA molecules (locally on a chip) by utilizing polymerase to elongate single-stranded DNA primers attached to the electrodes. Thiol-modified oligonucleotides are…