相关论文: Click chemistry in ultra-high vacuum - tetrazine c…
Electrochemically induced nuclear activity in hydrogen and deuterium-absorbing metals has been reported intermittently, yet a direct observation of nuclear signatures remains challenging. We electrolyzed light water with nickel cathodes…
Oxygen atom addition and insertion reactions may provide a pathway to chemical complexity in ices that are too cold for radicals to diffuse and react. We have studied the ice-phase reactions of photo-produced oxygen atoms with C2…
X-ray spectroscopies, by their high selectivity and sensitivity to the chemical environment around the atoms probed, provide significant insight into the electronic structure of molecules and materials. Interpreting experimental results…
Hybrid interfaces formed by inorganic semiconductors and organic molecules are intriguing materials for opto-electronics. Interfacial charge transfer is primarily responsible for their peculiar electronic structure and optical response.…
We study chemical reaction between a single hydrogen atom and a graphene, which is the elemental reaction between hydrogen and graphitic carbon materials. In the present work, classical molecular dynamics simulation is used with modified…
The inelastic neutral reaction of neutrino on 4He is calculated microscopically, including full final state interaction among the four nucleons. The calculation is performed using the Lorentz integral transform (LIT) method and the…
Semiconductor-superconductor hybrid systems have outstanding potential for emerging high-performance nanoelectronics and quantum devices. However, critical to their successful application is the fabrication of high-quality and reproducible…
We report the first study of time-resolved high-harmonic spectroscopy (TR-HHS) of a bond-making chemical reaction. We investigate the transient change of the high harmonic signal from 1,3-cyclohexadiene (CHD), which undergoes ring-opening…
More than thirty years ago, carbon nitrides featuring 3D frameworks of tetrahedral CN4 units were identified as one of the great aspirations of materials science, expected to have a hardness greater than or comparable to diamond. Since…
The formation of the interstellar complex organic molecules (iCOMs) is a hot topic in astrochemistry. One of the main paradigms trying to reproduce the observations postulates that iCOMs are formed on the ice mantles covering the…
Layer-by-layer assembly of van der Waals (vdW) heterostructures underpins new discoveries in solid state physics, material science and chemistry. Despite the successes, all current 2D material (2DM) transfer techniques rely on the use of…
Twenty-five molecule-anion complex systems [I4Tt...X-] (Tt = C, Si, Ge, Sn and Pb; X = F, Cl, Br, I, At) were examined using density functional theory (wB97XD) and ab initio (MP2 and CCSD) methods to demonstrate the ability of the tetrel…
Inter-site interactions between single atom catalysts (SACs) in the high loading regime are critical to tuning the catalytic performance. However, the understanding on such interactions and their distance dependent effects remains elusive,…
The present study aims to detect helium-3 in nickel-based metal nano-composites doped with zirconia, which exhibited anomalous heat generation when exposed to hydrogen gas at approximately 450{\deg}C. Two complementary analytical techniques…
Fission fragment mass and angular distributions were measured from the ^{64}Ni+^{197}Au reaction at 418 MeV and 383 MeV incident energy. A detailed data analysis was performed, using the one-body dissipation theory implemented in the code…
The reaction dynamics of O(3P) + O2(3Sigma_g-) collisions in the O3(1A') electronic ground state is characterized on a high-level MRCI+Q/aug-cc-pVQZ potential energy surface represented as a reproducing kernel. For the atom exchange…
Hydrogen embrittlement in zirconium alloys is one of current challenges of nuclear reactor containment and can lead to a rapid decrease in mechanical properties of materials. Although many previous studies investigated the mechanism of…
Measurements of the t-t and p-t coincidence events in the $^3$H ($\alpha$, ttp) reaction have been obtained at $E_\alpha$ incident energy of 67.2 MeV. Various appropriate angular configurations of detectors were chosen in order to observe…
The interface between the tetrathiafulvalene / tetracyanoquinodimethane (TTFTCNQ) organic blend and the Au(111) metal surface is analyzed by Density Functional Theory calculations, including the effect of the charging energies on the…
Understanding of degradation mechanisms in polymer:fullerene bulk-heterojunctions on the microscopic level aimed at improving their intrinsic stability is crucial for the breakthrough of organic photovoltaics. These materials are vulnerable…