相关论文: Click chemistry in ultra-high vacuum - tetrazine c…
We discuss prospects for probing Z-prime and non-standard neutrino interactions using neutrino-nucleus coherent scattering with ultra-low energy (~ 10 eV) threshold Si and Ge detectors. The analysis is performed in the context of a specific…
Understanding of the critical atomistic steps during the dehydrogenation process of liquid organic hydrogen carriers (LOHCs) is important to the design of cost-efficient, high-performance LOHC catalysts. Based on the density functional…
To gain insight into the dynamics of the CN + C2H6 gas-phase reaction, quasi-classical trajectory (QCT) calculations were performed on a full-dimensional analytical potential energy surface. This reaction presents very high exothermicity,…
Electrochemical reactions represent essential processes in fundamental chemistry that foster a wide range of applications. Although most electrochemical reactions in bulk substances can be well described by the classical Marcus-Gerischer…
Properties of inorganic-organic interfaces, such as their interface dipole, strongly depend on the structural arrangements of the organic molecules. A prime example is tetracyanoethylene (TCNE) on Cu(111), which shows two different phases…
We summarize results of the 1996 Snowmass workshop on future prospects for discovering dynamical electroweak symmetry breaking, compositeness, and anomalous couplings of quarks at colliders. We present the mass reach of the Tevatron to a…
The eta-mesic nuclei in which the eta meson is bound with nucleus via strong interaction was postulated about 25 years ago, however till now no experiment confirmed empirically its existence. The discovery of this new kind of an exotic…
Chemical processes taking place on ice-grain mantles are pivotal to the complex chemistry of interstellar environments. In this study, we conducted a comprehensive analysis of the catalytic effects of an amorphous solid water (ASW) surface…
Color centers provide an optical interface to quantum registers based on electron and nuclear spin qubits in solids. The T center in silicon is an emerging spin-photon interface that combines telecom O-band optical transitions and an…
The interfacial FeSe/TiO$_{2-\delta}$ coupling induces high-temperature superconductivity in monolayer FeSe films. Using cryogenic atomically resolved scanning tunneling microscopy/spectroscopy, we obtained atomic-site dependent surface…
This master's thesis investigates the thermal and photochemical dehydrogenation of ethylbenzene (EB) to styrene on the rutile TiO$_{2}$(110) surface. A dual-methodological quantum chemical approach is used for this investigation. While…
In situ exploration of the planetary atmospheres requires the development of laboratory experiments to understand the molecular growth pathways initiated by photochemistry in the upper layers of the atmospheres. Major species and dominant…
We report on a computational study of the clean and oxygen-covered Rh(110) surface, based on density-functional theory within the local-density approximation. We have used plane-wave basis sets and Vanderbilt ultra-soft pseudopotentials.…
The effective on-site Coulomb interaction (Hubbard $U$) between localized \textit{d} electrons in 3\textit{d}, 4\textit{d}, and 5\textit{d} transition metals is calculated employing a new parameter-free realization of the constrained…
Tungsten oxide-organic layered hybrid materials have been studied by infrared and Raman spectroscopy, and demonstrate a difference in bonding nature as the length of the interlayer organic `spacer' molecule is increased.…
Superconductivity at oxide interfaces has intrigued researchers for decades, yet the underlying pairing mechanism remains elusive. Here we demonstrate that proximity to a ferroelectric quantum critical point dramatically enhances…
Recently, the CMS Collaboration has published identified particle transverse momentum spectra in high multiplicity events at LHC energies $\sqrt s $ = 0.9-13 TeV. In the present work the transverse momentum spectra have been analyzed in the…
We have already measured the ER excitation function of $^{48}$Ti + $^{138}$Ba reaction around the Coulomb barrier. While a detailed report of measurement of ER excitation function of $^{48}$Ti + $^{138}$Ba is available in literature, the…
Topochemically transforming layered non-van der Waals solid into two dimensional (2D) materials involves selective etching reactions with atomic precision. The element-specific, structure-sensitive etching at nanoscale urgently requires…
We present the experimental apparatus enabling the observation of the heteronuclear Efimov effect in an optically trapped ultracold mixture of $^6$Li-$^{133}$Cs with high-resolution control of the interactions. A compact double-species…