相关论文: Interaction between Mo and intrinsic or extrinsic …
The intercalation-induced phase transition of MoS2 from the semiconducting 2H to the semimetallic 1T' phase has been studied in detail for nearly a decade; however, the effects of a heterointerface between MoS2 and other two-dimensional…
This work demonstrates that depositing a thin layer of Mo (5-15 nm) onto a 10 nm thick NbN strip leads to a significant increase in the nonlinearity of the kinetic inductance $L_k$. Specifically, the change in $L_k$ with increasing current…
Defects can strongly influence the electronic, optical and mechanical properties of 2D materials, making defect stability under different thermodynamic conditions crucial for material-property engineering. In this paper, we present an…
The understanding of depletion layers is of major importance to control the optical and electronic properties of metal oxide (MO) nanocrystals (NCs). Here, we show that depletion layer engineering is the main mechanism of photodoping of MO…
Matrix-vector multiplications are fundamental operations in artificial intelligence and high-throughput computations, and are executed repeatedly during training and inference. Their high energy cost in electronic processors motivate…
Monoclinic bismuth vanadate (BiVO$_4$) is a promising $n$-type semiconductor for applications in sunlight-driven water splitting. Several studies have shown that its photocatalytic activity is greatly enhanced by high concentrations of Mo…
We present a device scheme to explore mesoscopic transport through molybdenum disulfide (MoS$_2$) constrictions using photodoping. The devices are based on van-der-Waals heterostructures where few-layer MoS$_2$ flakes are partially…
Comparison is made of the electronic structure of the little-studied layered transition metal oxide LiNbO$_2$ with that of Na$_x$CoO$_2$, which has attracted tremendous interest since superconductivity was discovered in its hydrate.…
The rolling pad instability is caused by electromagnetic interactions in systems of horizontal layers with strongly different electric conductivities. We analyze the instability for a simplified model of a liquid metal battery (LMB), a…
The penetration of dendrites in ceramic lithium conductors severely constrains the development of solid-state batteries (SSBs) while its nanoscopic origin remain unelucidated. We develop an in-situ nanoscale electrochemical characterization…
Layered-oxide $\mathrm{LiNi_xMn_yCo_{1-x-y}O_2}$ (NMC) positive electrodes with high Nickel content, deliver high voltages and energy densities. However, a high nickel content, e.g., $x$ = 0.8 (NMC 811), can lead to high surface reactivity,…
Density-functional theory within a Berry-phase formulation of the dynamical polarization is used to determine the second-order susceptibility $\chi^{(2)}$ of lithium niobate (LiNbO$_3$). Defect trapped polarons and bipolarons are found to…
LiNbO3 is a distinguished multifunctional material where ferroelectric domain engineering is of paramount importance. This degree of freedom of the spontaneous polarization remarkably enhances the applicability of LiNbO3, for instance in…
In this work, we have systematically studied the role of point defects in the recombination time of monolayer MoS$_2$ using time-dependent ab initio non-adiabatic molecular dynamics simulations. Various types of point defects, such as S…
The ongoing search for high voltage positive electrode materials for Mg batteries has been primarily hampered by poor Mg mobility in bulk oxide frameworks. Motivated by the presence of Mo$_3$ clusters that can facilitate charge…
In the past decade, lithium niobate (LiNbO3 or LN) photonics, thanks to its heat-free and fast electro-optical modulation, second-order non-linearities and low loss, has been extensively investigated. Despite numerous demonstrations of…
In optoelectronic applications, metal halide perovskites (MHPs) are compelling materials because of their highly tuneable and intensely competitive optical properties. Colloidal synthesis enables the controlled formation of various…
Among two-dimensional atomic crystals, hexagonal boron nitride (hBN) is one of the most remarkable materials to fabricate heterostructures revealing unusual properties. We perform first-principles calculations to determine whether…
Molybdenum borides were studied theoretically using first-principles calculations, empirical total energy model and global optimization techniques to determine stable crystal structures. Our calculations reveal the structures of known Mo-B…
Photocatalytic nitrogen fixation is an important pathway for carbon neutralization and sustainable development. Inspired by nitrogenase, the participation of molybdenum can effectively activate nitrogen. A novel Ti/Mo composites…