PDF Publication Title:
Text from PDF Page: 004
32 N.A.W. Holzwarth / Physics Procedia 57 (2014) 29 – 37 b c a Key Li O P β-Li3PO4 (Pmn21 # 31) γ-Li3PO4 (Pnma #62) Fig. 1. Ball and stick diagrams for the structures of β-Li3PO4 and γ-Li3PO4, each with the indicated space group name and number as listed in the International Table of Crystallography.Hahn (2002) The orthorhombic unit cells and the corresponding lattice parameters a, b, and c are also indicated. The key shown at the left indicates the ball conventions. γ-Li3 PO4 β-Li3 PO4 Exp. I (RT) Exp. II (RT) Exp. III (NT) LDA (PAW) LDA (USPP) GGA (USPP) Exp. IV (NT) LDA (PAW) LDA (USPP) GGA (USPP) 200 400 600 800 1000 ν (cm-1) Fig. 2. Comparison of experimental and calculated Raman spectra for γ-Li3PO4 (left) and β-Li3PO4 (right). The experimental measurements were performed at room temperature (RT) and at liquid nitrogen temperature (NT). Exp. I was taken from Ref. [Mavrin et al. (2003)] and Exp. II and III were taken from Ref. [Harbach and Fischer (1974)], and Exp. IV was taken from Ref. [Popovic ́ et al. (2003)]. These are compared with calculated results using PAW and USPP formalisms and LDA and GGA exchange-correlation functionals. (2011); Du and Holzwarth (2010a,b); Lepley and Holzwarth (2011, 2012); Senevirathne et al. (2013); Lepley et al. (2013)). 3. Some results for solid electrolytes based on lithium phosphates and thiophosphates In the course of a systematic study of the family of crystalline compounds of LixPOyNz compounds, the possibility of substituting N for O in natural LiPO3 was studied computationally.Du and Holzwarth (2010b) Starting from the P2/c structure of natural LiPO3, the 20 bridging oxygens were replaced by nitrogens and 20 additional Li atoms were 200 400 600 800 1000 ν (cm-1) a c bPDF Image | First Principles Modeling of Electrolyte Materials in All-Solid-State Batteries
PDF Search Title:
First Principles Modeling of Electrolyte Materials in All-Solid-State BatteriesOriginal File Name Searched:
1-s2-0-S1875389214002727-main.pdfDIY PDF Search: Google It | Yahoo | Bing
Sulfur Deposition on Carbon Nanofibers using Supercritical CO2 Sulfur Deposition on Carbon Nanofibers using Supercritical CO2. Gamma sulfur also known as mother of pearl sulfur and nacreous sulfur... More Info
CO2 Organic Rankine Cycle Experimenter Platform The supercritical CO2 phase change system is both a heat pump and organic rankine cycle which can be used for those purposes and as a supercritical extractor for advanced subcritical and supercritical extraction technology. Uses include producing nanoparticles, precious metal CO2 extraction, lithium battery recycling, and other applications... More Info
CONTACT TEL: 608-238-6001 Email: greg@infinityturbine.com (Standard Web Page)