相关论文: Click chemistry in ultra-high vacuum - tetrazine c…
Within the Time Dependent Hartree Fock (TDHF) approach, we investigate the impact of several ingredients of the nuclear effective interaction, such as incompressibility, symmetry energy, effective mass, derivative of the Lane potential and…
We show that the superconducting transition temperature Tc of FeSe1-xTex can be computed to reasonable values in a modified McMillan approach in which the electron-phonon coupling is amplified by the antiferromagnetism and the out-of-plane…
Phenalenyl is a radical nanographene with triangular shape that hosts an unpaired electron with spin S = 1/2. The open-shell nature of phenalenyl is expected to be retained in covalently bonded networks. Here, we study a first step in that…
The radicals HCO and CH$_3$ on carbon monoxide ice surfaces were simulated using density functional theory. Their binding energy on amorphous CO ice shows broad distributions, with approximative average values of 500 K for HCO and 200 K for…
The coexistence curves of the liquid-liquid equilibria (LLE) for systems of 2-phenoxyethanol (2PhEE) with heptane, octane, cyclohexane, methylcyclohexane or ethylcyclohexane have been determined by the method of the critical opalescence…
Electrochemical gating has been demonstrated as a powerful tool to tune the physical properties of two-dimensional (2D) materials, leading to lots of fascinating quantum phenomena. However, the reported liquid-nature electrolytes (e.g,…
Photoluminescence spectra of YVO$_{4}$:Eu$^{3+}$ nanoparticles are presented,with and without the attachment of of organic linker molecules that are proposed for linking to biomolecules. YVO$_{4}$:Eu$^{3+}$ nanoparticles with 5% dopant…
Here we introduce a versatile stereolithographic route to produce three different kinds of Si-containing thermosets that yield high performance ceramics upon thermal treatment. Our approach is based on a fast and inexpensive thiol-ene free…
The single-molecule magnet $\mathrm{[Ni(hmp)(MeOH)Cl]_4}$ is studied using both density functional theory (DFT) and the DFT+U method, and the results are compared. By incorporating a Hubbard-U like term for both the nickel and oxygen atoms,…
The development of alloys that are hydrogenated and dehydrogenated quickly and actively at room temperature is a challenge for the safe and compact storage of hydrogen. In this study, a new high-entropy alloy (HEA) with AB-type…
Coherent coupling between excitons is at the heart of many-body interactions with transition metal dichalcogenide (TMD) heterostructures as an emergent platform for the investigation of these interactions. We employ multi-dimensional…
Nickel-based layered double hydroxides (LDHs) are promising electrode materials in the fields of energy storage (supercapacitors) and conversion (urea oxidation). The rational construction of atomic and electronic structure is crucial for…
Three types of supramolecular interactions are identified in the three crystallographic directions in crystals of 1,4-bis[(1-hexylurac-6-yl)ethynyl]benzene, a uracil-based molecule with a linear backbone. These three interactions,…
The structure of the solid-liquid interface often defines function and performance of materials in applications. To study the interface at the atomic scale, we extended an ultrahigh vacuum (UHV) surface-science chamber with an apparatus…
Electrolyte decomposition reactions on Li-ion battery electrodes contribute to the formation of solid electrolyte interphase (SEI) layers. These SEI layers are one of the known causes for the loss in battery voltage and capacity over…
Overheating has emerged as a primary challenge constraining the reliability and performance of next-generation high-performance electronics, such as chiplets and (ultra)wide bandgap electronics. Advanced heterogeneous integration not only…
Inelastic interactions of nuclei accelerated to a momentum of 4.5 GeV/$c$ per projectile nucleon with photoemulsion nuclei have been investigated. The main features of these interactions - mean ranges of $^6$Li nuclei, mean multiplicities…
Van der Waals heterostructures are an excellent platform for studying intriguing interface phenomena, such as moir\'e and proximity effects. Surface science techniques like scanning tunneling microscopy (STM) have proven a powerful tool to…
The electrical double layer (EDL) at aqueous solution-metal oxide interfaces critically affects many fundamental processes in electrochemistry, geology and biology, yet understanding its microscopic structure is challenging for both theory…
Searching for superconducting materials with high transition temperature (TC) is one of the most exciting and challenging fields in physics and materials science. Although superconductivity has been discovered for more than 100 years, the…