相关论文: MXene's Surface Functionalization Patterns and The…
Atomically thin metallenes have properties attractive for applications, but they are intrinsically unstable and require delicate stabilization in pores or other nano-constrictions. Substrates provide solid support, but metallenes' wanted…
Manganese ferrite (MnFe2O4) and copper doped manganese ferrite (Mn0.75Cu0.25Fe2O4) soft materials were synthesized through solid-state sintering method. The phase purity and quality were confirmed from x-ray diffraction patterns. Then the…
Recently, a group of MAX phases, (Mo$_{2/3}$Y$_{1/3}$)$_2$AlC, (Mo$_{2/3}$Sc$_{1/3}$)$_2$AlC, (W$_{2/3}$Sc$_{1/3}$)$_2$AlC, (W$_{2/3}$Y$_{1/3}$)$_2$AlC, and (V$_{2/3}$Zr$_{1/3}$)$_2$AlC, with in-plane ordered double transition metals, named…
In the present work, the electronic and vibrational properties of both pristine V$_2$C and fully-terminated V$_2$CT$_2$ (where T = F, O, OH) 2D monolayers are investigated using density functional theory. Firstly, the atomic structures of…
MXenes are a large family of two-dimensional transition metal carbides and nitrides that possess excellent electrical conductivity, high volumetric capacitance, great mechanical properties, and hydrophilicity. In this work, we generalize…
While ultra-thin layers of the LaNiO$_3$ film exhibit a remarkable metal-insulator transition as the film thickness becomes smaller than a few unit cell (u.c.), the formation of oxygen vacancies and their effects on the correlated…
To help provide insight into the remarkable catalytic behavior of the oxygen/silver system for heterogeneous oxidation reactions, purely sub-surface oxygen, and structures involving both on-surface and sub-surface oxygen, as well as…
Using a density functional theory based electronic structure method and semi-local density approximation, we study the interplay of geometric confinement, magnetism and external electric fields on the electronic structure and the resulting…
Using density-functional theory we assess the stability of bulk and surface oxides of the late 4d transition metals in a ``constrained equilibrium'' with a gas phase formed of O2 and CO. While the stability range of the most stable bulk…
Transition metal dichalcogenides (TMDs) are layered materials which show excellent potential for nanoelectronic and optoelectronic applications. However, as many of the exciting features of these materials are controlled by the anharmonic…
Recent results on the optical properties of mono- and few-layers of semiconducting transition metal dichalcogenides are reviewed. Experimental observations are presented and discussed in the frame of existing models, highlighting the limits…
There has been significant recent interest in layered solid-state materials containing an [M2O] square lattice layer (M = transition metal), particularly because [M2O] is the anti-type of the [CuO2] planes in the layered cuprate…
The thermal conductivities of MoS2 and WS2 have been reported by some experimental and theoretical studies, however, the results are different from each other. Here, thermal transport properties of twelve types of single layer transition…
Recently emerged layered transition metal dichalcogenides have attracted great interest due to their intriguing fundamental physical properties and potential applications in optoelectronics. Using scattering-type scanning near-field optical…
Magnetic complex-oxide heterostructures are of keen interest because a wealth of phenomena at the interface of dissimilar materials can give rise to fundamentally new physics and potentially valuable functionalities. Altered magnetization,…
Traditional MXenes with intriguing mechanical and electronic properties, together with the fertilities of elemental compositions and chemical decorations have aroused much attentions. However, the semiconducting traits with direc band gap…
Two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs) can withstand a large deformation without fracture or inelastic relaxation, making them attractive for application in novel strain-engineered and flexible…
The practical applications of lithium selenium (Li-Se) batteries are impeded primarily due to the dissolution and migration of higher order polyselenides (Li2Sen) into the electrolyte (known as shuttle effect) and inactive deposition of…
Transition-metal borides (TMBs) have long attracted attention of the researchers because of their unique mechanical and electrical properties including superconductivity. We have explored the structural, mechanical, electronic, optical, and…
Radionuclides sequestration through adsorption technology has attracted much attention due to its unique characters such as high removal efficiency, low cost, and ease of operation. In this work, the interaction mechanism of…