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The simulations of field-evaporation processes for silicon atoms on various Si(001) surfaces are implemented using the first-principles calculations based on the real-space finite-difference method. We find that the atoms which locate on…
To face the higher levels of radiation due to the 10-fold increase in integrated luminosity during the High-Luminosity LHC, the CMS detector will replace the current Calorimeter Endcap (CE) using the High-Granularity Calorimeter (HGCAL)…
The amorphous structure of nanoporous carbon electrodes in supercapacitors complicates the establishment of clear links between electrode geometry and capacitance. In this work, we examine how specific structural features govern charge…
We have used molecular simulation and methods of importance sampling to study the thermodynamics and kinetics of ionic charge separation at a liquid water-metal interface. We have considered this process using canonical examples of two…
We investigate the effective interactions between two nanoparticles (or colloids) immersed in a solvent exhibiting two-phase separation. Using a non-local density functional theory, we determine the dependence of the effective potential on…
We discuss the theory of cooling electrons in solid-state devices via ``evaporative emission.'' Our model is based on filtering electron subbands in a quantum-wire device. When incident electrons in a higher-energy subband scatter out of…
We make a review of the main nuclear effects that affect neutrino-nucleus cross sections. We discuss how the different models in the literature try to describe these different effects, and thus try to compare between them. We focus on the…
We investigate the hydrogen adsorption capacity of Na-coated carbon nanotubes (Na-SWCNTs) using first-principles electronic structure calculations at absolute temperature and pressure. A single Na atom is always found to occupy the hollow…
The field electron emission from the single-walled carbon nanotubes with their open ends terminated by -BH, -NH, and -O has been simulated. The apex-vacuum barrier and the emission current have been calculated. It has been found that -BH…
Alkali-activated materials and related alternative cementitious systems are sustainable material technologies that have the potential to substantially lower CO$_2$ emissions associated with the construction industry. However, the impact of…
Alkali dimers, $\mathrm{Ak}_2$, residing on the surface of He nanodroplets are doubly ionized due to multiphoton absorption from an intense, 50-fs laser pulse leading to fragmentation into a pair of alkali cations. Based on the measured…
Electrodes composed of activated carbon (AC) particles can desalinate water by ion electrosorption. To describe ion electrosorption mathematically, accurate models are required for the structure of the electrical double layers (EDLs) that…
We propose a simple approach to construct a quantum-dot and it's electrodes using chiral metallic single walled carbon nanotube (CM-SWCNT) segments of exactly opposite chiralities $(m,n)$ and $(n,m)$. The degree and energetics of electron…
We present an accurate method of treating the one-neutron removal reaction at intermediate incident energies induced by both nuclear and Coulomb interactions. In the method, the nuclear and Coulomb breakup processes are consistently treated…
Single charge detection with nanoscale spatial resolution in ambient conditions is a current frontier in metrology that has diverse interdisciplinary applications. Here, such single charge detection is demonstrated using two…
Photoluminescent carbon nanotubes are expected to become versatile room-temperature single-photon sources that have applications in quantum information processing. Quantum emission from carbon nanotubes is often induced by localization of…
Ab initio calculations and kinetic Monte Carlo simulations demonstrate that the quantum confinement of surface electrons to nanoislands can significantly affect the growth process at low temperatures. Formation of empty zones and orbits of…
Associative electronic detachment (AED) between anions and neutral atoms leads to the detachment of the anion's electron resulting in the formation of a neutral molecule. It plays a key role in chemical reaction networks, like the…
Electrides are ionic crystals with electrons acting as anions occupying well-defined lattice sites. These exotic materials have attracted considerable attention in recent years for potential applications in catalysis, rechargeable…
We have developed a unique neutralizer device that uses an yttrium target surrounded by a platinum wall to magneto-optically trap radioactive atoms. In general, the radioactive nucleus produced in a nuclear reaction is extracted and…