Related papers: Finding Natural, Dense, and Stable Frustrated Lewi…
Steric hindered frustrated Lewis pairs (FLPs) have been shown to activate hydrogen molecules, and their reactivity is strongly determined by the geometric parameters of the Lewis acid s and bases. A recent experimental study showed that…
Using inverse statistical-mechanical optimization techniques, we have discovered isotropic pair interaction potentials with strongly repulsive cores that cause the tetrahedrally coordinated diamond and wurtzite lattices to stabilize, as…
Typically, a Lewis acid and a base react with each other and form classic acid base adducts. The neutralization reaction is however prevented by the introduction of bulky substitutes and this interesting finding leads to a new concept…
The accurate absolute surface energies of (0001)/(000-1) surfaces of wurtzite structures are crucial in determining the thin film growth mode of important energy materials. However, the surface energies still remain to be solved due to the…
Naturally occurring van der Waals crystals have brought unprecedented interest to nanomaterial researchers in recent years. So far, more than 1800 layered materials (LMs) have been identified but only a few insulating and naturally…
Density-functional calculations are used to study various plausible structures of the wurtzite InN $(0001)$ and $(000{\bar 1})$ surfaces. These structures include the unreconstructed surfaces, surfaces with monolayers of In or N, several…
The persistent spin helix (PSH) that has been widely and exclusively studied in zinc-blende structures is revealed for the first time on the surface of a wurtzite structure. Through first-principles calculations of the ZnO(10-10) surface, a…
Magnetic and crystallographic properties of the mineral langite Cu$_4$(OH)$_6$SO$_4\cdot 2$H$_2$O are reported. Its layered crystal structure features a peculiar spatial arrangement of spin-$\frac12$ Cu$^{2+}$ ions that arises from a…
We investigate the stability of low-friction sliding of nanocrystal with rectangular atomic arrangement on rectangular lattices, for which analytical results can be obtained. We find that several incommensurate periodic orbits exist and are…
We investigate the formation of cluster crystals with multiply occupied lattice sites on a spherical surface in systems of ultra-soft particles interacting via repulsive, bounded pair potentials. Not all interactions of this kind lead to…
Surface states are ubiquitous to semiconductors and significantly impact the physical properties and consequently the performance of optoelectronic devices. Moreover, surface effects are strongly amplified in lower dimensional systems such…
In this work we study the structural stability and electronic properties of the Beryllium sulphide nanowires (NWs) in both zinc blende (ZB) and wurtzite (WZ) phases with triangle and hexagonal cross section, using first principle…
Experimental microstylolites have been observed at stressed contacts between quartz grains loaded for several weeks in the presence of an aqueous silica solution, at 350 8C and 50 MPa of differential stress. Stereoscopic analysis of pairs…
Synthesis and crystal structures are described for the compounds Ln2(Ti2-xLnx)O7-x/2, where Ln = Tb, Dy, Ho, Er, Tm, Yb, Lu, and x ranges from 0 to 0.67. Rietveld refinements on X-ray powder diffraction data indicate that in Tb and Dy…
We report the crystal structures, magnetic and thermodynamic properties of two magnetically frustrated $A$'$A$"$M_2$F$_7$-type antiferromagnets, NaCdNi$_2$F$_7$ and NaCdMn$_2$F$_7$. While NaCdNi$_2$F$_7$ forms a stable pyrochlore structure…
We study dilute aqueous solutions of charged disk-like mineral particles (Laponite) by a combination of static light scattering (SLS) and small-angle x-ray scattering (SAXS). Laponite solutions are known to form gels above a certain…
Nowadays, hydrogen activation by frustrated Lewis pairs (FLPs) and their applications have been demonstrated to be one of emerge research topics in the field of catalysis. Previous studies have shown that the thermodynamics of these…
Fulde, Ferrell, Larkin, and Ovchinnikov (FFLO) predicted inhomogeneous superconducting and superfluid ground states, spontaneously breaking translation symmetries. In this Letter, we demonstrate that the transition from the FFLO to the…
We study an effective model of microscopic facet formation for low temperature three dimensional microscopic Wulff crystals above the droplet condensation threshold. The model we consider is a 2+1 solid on solid surface coupled with high…
A complete knowledge of absolute surface energies with any arbitrary crystal orientation is important for the improvements of semiconductor devices because it determines the equilibrium and nonequilibrium crystal shapes of thin films and…