Molecular dynamics simulations based on a reactive force field (ReaxFF) are performed to examine the effects of the variable morphologies of fishbone-type ... HY Cheng,YA Zhu,PO Åstrand,... - 《Journal of Physical Chemistry C》 被引量: 9发表: 2013年 Molecular simulation of "hydrolytic ...
β-Ga2O3 is a promising ultra-wide bandgap semiconductor with melt-grown substrates that are scalable, particularly in the (001) orientation. In this study, we report on the heated-phosphoric acid etching of (001) β-Ga2O3. A wagon wheel pattern with spokes aligned to a range of specific...
molecular vibration in solidsorder-disorder transformationspotassium compoundsRaman spectra of inorganic solids/ order-disorder transitionlocal symmetryPO 4 tetrahedraK(H 1-xD x) 2PO 4Raman scatteringinternal modesThe v 3 and v 4 internal modes of PO 3 4 tetrahedra are observable in KH 2PO 4 ...
After the incubation time was over, dimethyl sulfoxide was added into each well (AppliChem, USA) in 2 : 3 ratio to the mixture, and the final solution was transferred into a 96-well plate (250 μL per well). The absorbance was measured on a EnVision Multilabel Plate Reader (Perkin ...
Recently, various surface treatments on the NRs geometry have been made to passivate surface states via deposition of ultra-thin films and chemical treatment. The surface treatment with suitable coating layers, such as TiO2, Al2O3, CeO2, etc., was reported to be an effective way to reduce ...
Na-ion batteries are gaining an increased recognition as the next generation low cost energy storage devices. Here, we present a characterization of Na3FePO4CO3 nanoplates as a novel cathode material for sodium ion batteries. First-principles calculation
A new Cu (II) complex with bidentate o-phenanthroline (phen) ligand, ([Cu(phen)]2(H2PO4)2HPO4)2(H3PO4)4, has been synthesized and characterized by single c
These two key observations point to the importance of crystal packing effects on molecular geometry as well on the derived interatomic parameters.doi:10.1524/ncrs.1998.213.14.736Zoran MarjanovicClinic for Pediatric Surgery, University in Nis, 18000, Nis, SerbiaNikola Vacic...
The extra-framework lithium cations are in typical tetrahedral geometry (3 framework oxygen atomis + 1 extra framework oxygen atom), while the included hydrogen phosphate anion, coordinated by lithium cations within the loso-cage, is novel. The structure of BePO-LOS is considered in relationship ...
To better assess the zinc phosphate-binding onto the GO surface, the intermolecular interactions of Zn3(PO4)2 species with both neutrally-charged and negatively-charged GO substrate were evaluated. The molecular structure of the GO surface, which consists of oxygenated epoxy, hydroxyl, and ...