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Incorporation of guest additives within inorganic single crystals offers a unique strategy for creating nanocomposites with tailored properties. While anionic additives have been widely used to control the properties of crystals, their…
A single nanoparticle (NP) mass spectrometry method was used to measure sublimation rates as a function of nanoparticle temperature (TNP) for a number of individual graphite and graphene NPs. Initially, the NP sublimation rates were ca. 400…
Single-atom catalysts (SACs) have garnered significant interest due to their ability to reduce metal particles to the atomic scale, enabling finely tunable local environments and enhanced catalytic properties in terms of reactivity and…
We present an orbital-resolved density functional theory study on the electronic properties of hydrogen and lithium intercalated graphene grown on the Si face of SiC. Starting from the $(6\sqrt3\times6\sqrt3)R30^{\circ}$ surface…
We first consider the recrystallization characteristics of catalysis alloy and graphite in the process of diamond synthesis under the condition of super high pressure and high temperature in catalysis method. In the process of diamond…
Graphite, with many industrial applications, is one of the widely sought-after allotropes of carbon. The sp2 hybridized and thermodynamically stable form of carbon forms a layered structure with strong in-plane carbon bonds and weak…
Diffusion mediated interaction in metal-substrate assembly during high temperature annealing leads to possible formation of new composite materials. Here, sputtered grown Ti films on Si3N4/Si substrate has been reported to produce titanium…
The functionalized graphene sheets (FGS)-polyacrylamide (PAM) composite films have been prepared by solution cast technique. The FGS have been synthesized by thermal exfoliation of graphite oxide. Several composites with different weight %…
Methanol occupies a central role in chemical synthesis and is considered an ideal candidate for cleaner fuel storage and transportation. It can be catalyzed from water and volatile organic compounds such as carbon dioxide, thereby offering…
Learning representation on graph plays a crucial role in numerous tasks of pattern recognition. Different from grid-shaped images/videos, on which local convolution kernels can be lattices, however, graphs are fully coordinate-free on…
Here we report the polarization dependent non-resonant second harmonic generation (SHG) measurement of the interfacial water molecules at the aqueous solution of the following salts: NaF, NaCl, NaBr, KF, KCl, and KBr. Through quantitative…
Recent experimental studies confirmed that a long searched conventional superconducting phase in graphene can be induced via lithium deposition. However, the canonical character of the lithium-decorated graphene (LiC$_{6}$) superconductor…
New intercalation superconductors of Li$_x$(C$_2$H$_8$N$_2$)$_y$TiSe$_2$ and Li$_x$(C$_6$H$_{16}$N$_2$)$_y$TiSe$_2$ with $T_{\rm c}$ = 4.2 K have successfully been synthesized via the co-intercalation of lithium and ethylenediamine or…
We use anhydrous ferric chloride (FeCl3) to intercalate graphite flakes consisting of 2 to 4 graphene layers and to dope graphene monolayers. The intercalant, staging, stability and doping of the resulting intercalation compounds (ICs) are…
We demonstrate how machine-learning based interatomic potentials can be used to model guest atoms in host structures. Specifically, we generate Gaussian approximation potential (GAP) models for the interaction of lithium atoms with…
The realization of air-stable 2D metals epitaxial to SiC and capped by graphene creates a potentially immense chemical space of 2D metals and alloys that could expand the variety of solid-state excitations unique to 2D metals beyond what is…
It is shown that the gap solution and critical transition temperature are significantly enhanced by doping in a recently developed BCS formalism for graphene superconductivity in such a way that positive gap and transition temperature both…
The hybrid nanostructures of nitrogen doped carbon materials and nonprecious transition metals are among the most promising electrocatalysts to replace noble metal catalysts for renewable energy applications. However, the fundamental…
Sodium atoms and clusters (N<5) on graphite (0001) are studied using density functional theory, pseudopotentials and periodic boundary conditions. A single Na atom is observed to bind at a hollow site 2.45 A above the surface with an…
Designing integrated circuits involves substantial complexity, posing challenges in revealing its potential applications - from custom digital cells to analog circuits. Despite extensive research over the past decades in building versatile…