相关论文: Highly surface-active Ca(OH)$_2$ monolayer as a CO…
Hafnia-based ferroelectrics have become a valuable class of electronic functional materials at the nanoscale, showing great potential for next-generation memory and logic devices. However, more robust ferroelectric properties and better…
The global commitment to achieve net-zero has led to increasing investment towards the production and usage of green hydrogen (H2).However, the massive quantity needed to match future demand will require new storage facilities. Underground…
Recent success in the growth of monolayer MoS$_2$ via chemical vapor deposition (CVD) has opened up prospects for the implementation of these materials into thin film electronic and optoelectronic devices. Here, we investigate the…
The metastable nature of the ferroelectric phase of HfO$_2$ is a significant impediment to its industrial application as a functional ferroelectric material. In fact, no polar phases exist in the bulk phase diagram of HfO$_2$, which shows a…
Monolayer WS2 offers great promise for use in optical devices due to its direct bandgap and high photoluminescence intensity. While fundamental investigations can be performed on exfoliated material, large-area and high quality materials…
Very recently, the two-dimensional (2D) form of MoSi2N4 has been successfully fabricated [Hong et al., Sci. 369, 670 (2020)]. Motivated by theses recent experimental results, herein we investigate the structural, mechanical, thermal,…
We consider super-Earth sized planets which have a water mass fraction that is large enough to form an external mantle composed of high pressure water ice polymorphs and that lack a substantial H/He atmosphere. We consider such planets in…
The gas permeation behavior in the single crystal of syndiotactic polystyrene (s-PS) S-I form was investigated in detail, in comparison to that in the s-PS $\varepsilon$ form. The S-I form exhibits high CO$_2$/N$_2$ and CO$_2$/CH$_4$…
We report the preparation of sodium alanate, a promising hydrogen storage material, in a thin film form using co-sputtering in a reactive atmosphere of atomic hydrogen. We study the phase formation and distribution, and the hydrogen…
The discovery of two dimensional Van der Waals materials has opened up several possibilities for designing novel devices. Yet a more promising way of designing exotic heterostutures with improved physical properties is to grow a monolayer…
Using a diffusion Monte Carlo (DMC) technique, we calculated the phase diagrams of $^4$He and H$_2$ adsorbed on a single (5,5) carbon nanotube, one of the narrowest that can be obtained experimentally. For a single monolayer, when the…
Carbon materials have a range of properties such as high electrical conductivity, high specific surface area, and mechanical flexibility are relevant for electrochemical applications. Carbon materials are utilised in energy…
Two-dimensional (2D) materials are a new class of materials with interesting physical properties and applications ranging from nanoelectronics to sensing and photonics. In addition to graphene, the most studied 2D material, monolayers of…
Two-dimensional (2D) transition metal dichalcogenides MX2 (M = Mo, W, X = S, Se, Te) attracts enormous research interests in recent years. Its 2H phase possesses an indirect to direct bandgap transition in 2D limit, and thus shows great…
Solvents are an essential element in the production and processing of two-dimensional (2D) materials. For example, the liquid phase exfoliation of layered materials requires a solvent to prevent the resulting monolayers from re-aggregating,…
The development of semiconductor optoelectronic devices is moving toward low power consumption and miniaturization, especially for high-efficiency quantum emitters. However, most of these quantum sources work at low carrier density region,…
The increase in threats from global warming due to the consumption of fossil fuels requires our planet to adopt new strategies to harness the inexhaustible sources of energy. Hydrogen is an energy carrier which holds tremendous promise as a…
A simple perfect absorption structure is proposed to achieve the high efficiency light absorption of monolayer molybdenum disulfide (MoS 2 ) by the critical coupling mechanism of guided resonances. The results of numerical simulation and…
We study the effects of H2O on CO2 adsorption in an amine-appended variant of the metal-organic framework Mg2(dobpdc), which is known to exhibit chaining behavior that presents in a step-shaped adsorption isotherm. We first show how the…
Fouling of surfaces leads to performance degradation in many energy-intensive industrial processes, but the present solutions are either too complicated to be routinely used or incomplete for eradication. Here we propose and demonstrate…