相关论文: Nanocarbon for Energy Material Applications: N$_2$…
A carbon nanotube is an ideal object for understanding the atomic scale aspects of interface interaction and friction. Using molecular statics and dynamics methods different types of motion of nanotubes on a graphite surface are…
The authors report on the use of carbon nanofiber nanoemitters to ionize deuterium atoms for the generation of neutrons in a deuterium-deuterium reaction in a preloaded target. Acceleration voltages in the range of 50-80 kV are used. Field…
A suspended carbon nanotube can act as a nanoscale resonator with remarkable electromechanical properties and the ability to detect adsorption on its surface at the level of single atoms. Understanding adsorption on nanotubes and other…
The conversion of waste carbon dioxide (CO2) gas into valuable products and fuels through an electrocatalytic CO2 reduction reaction (CO2RR) is a promising approach. The sluggish kinetics of the CO2RR require the development of novel…
A way to produce new metal-carbon nanoobjects by transformation of a graphene flake with an attached transition metal cluster under electron irradiation is proposed. The transformation process is investigated by molecular dynamics…
An adequate understanding of NOx interacting chemistry is a prerequisite for a smoother transition to carbon lean and carbon free fuels such as ammonia and hydrogen. In this regard, this study presents a comprehensive study on the H atom…
We present a tight-binding potential for transition metals, carbon, and transition metal carbides, which has been optimized through a systematic fitting procedure. A minimal basis, including the s, p electrons of carbon and the d electrons…
As technology continues to evolve, the demand for renewable and sustainable energy continues to grow. As the use of renewable energies, specifically photovoltaics, is continually being adopted and incorporate into everyday life, it is…
Employing electrons for direct control of nanoscale reaction is highly desirable since it provides fabrication of nanostructures with different properties at atomic resolution and with flexibility of dimension and location. Here, applying…
Nitrogen hydrides, including ammonia (NH3), hydrazine (N2H4), hydrazoic acid (HN3) and etc, are compounds of great fundamental and applied importance. Their high-pressure behavior is important because of their abundance in giant planets and…
The recent geopolitical crisis resulted in a gas price surge. Although lithium-ion batteries represent the best available rechargeable battery technology, a significant energy and power density gap exists between LIBs and petrol/gasoline.…
In the context of electromagnetism and nonlinear optical interactions damping is generally introduced as a phenomenological, viscous term that dissipates energy, proportional to the temporal derivative of the polarization. Here, we follow…
Eutectic NiTiO$_3$-TiO$_2$ samples and their H$_2$ reduced Ni-TiO$_2$ samples, where high aspect ratio TiO$_2$ nanostructures are axially decorated with nodular Ni globules, are thoroughly explored to understand their effect in…
Nanotruss structures made of carbon nanotubes are investigated in two conceptual applications: either as building blocks of metamaterials or for nanostructural applications. The nanotrusses are optimized for different purposes, including…
The interaction between hydrogen atoms and carbon nanoparticles is a fundamental process governing the properties of carbonaceous materials in environments ranging from combustion systems to the interstellar medium. This study investigates…
Numerous metallurgical and materials science applications depend on quantitative atomic-scale characterizations of environmentally-sensitive materials and their transient states. Studying the effect upon materials subjected to…
Nuclear reactors are uniquely powerful, abundant, and flavor-pure sources of antineutrinos that continue to play a vital role in the US neutrino physics program. The US reactor antineutrino physics community is a diverse interest group…
We report a collection of lowest-energy structures of hydrocarbon molecules C_{m}H_{n} (m=1-18; n=0-2m+2). The structures are examined within a wide hydrogen chemical potential range. The genetic algorithm combined with Brenner's empirical…
First-principles simulations were performed to investigate reaction of carbon nanotubes with adsorbed metal atoms. Mechanical modification of their structures enhances chemical reactivity of carbon nanotubes. Adsorption of a tungsten,…
Understanding and modeling energy transfer mechanisms in rare-earth-doped nanomaterials is essential for advancing luminescent technologies used in bioimaging, optical thermometry, and solid-state lasers. In this work, we investigate the…