Subsolidus phase relations in Ca2Mo2O8?NaEuMo2O8-powellite solid solution predicted from static lattice energy calculations and Monte Carlo simulations

QR Code

Subsolidus phase relations in Ca2Mo2O8?NaEuMo2O8-powellite solid solution predicted from static lattice energy calculations and Monte Carlo simulations

Thermodynamic mixing properties and subsolidus phase relations of Ca2Mo2O8?NaEuMo2O8powellites were modelled in the temperature range of 423?1773 K with static lattice energy calculations based on empirically constrained interatomic potentials. Relaxed static lattice energies (SLE) of a large set of...

Full description

Bibliographic Details
Main Authors:	Vinograd, V., Bosbach, D., Winkler, B., Gale, Julian
Format:	Journal Article
Published:	Royal Society of Chemistry 2008
Online Access:	http://hdl.handle.net/20.500.11937/40799

Similar Items

Mechanical activation of MoS(2)+Na(2)O(2) mixtures
by: Jadambaa, Temuujin, et al.
Published: (2009)

Thermodynamics of mixing in diopside-jadeite, CaMgSi2O6-NaAlSi2O6, solid solution from staticlattice energy calculations
by: Vinograd, V., et al.
Published: (2007)

Subsolidus phase equilibria and electrical properties of pyrochlores in the Bi2O3–CuO–Ta2O5 ternary system
by: Chon, M. P., et al.
Published: (2016)

A hierarchical Zn2Mo3O8 nanodots–porous carbon composite as a superior anode for lithium-ion batteries
by: Zhu, Y., et al.
Published: (2016)

Eu and dy co-activated SrB2Si2O8 blue emitting phosphor: synthesis and luminescence characteristics
by: Leow, T.Q., et al.
Published: (2015)

Physical, structural, thermal, and optical spectroscopy studies of TeO2–B2O3–MoO3–ZnO–R2O (R = Li, Na, and K)/MO (M = Mg, Ca, and Pb) glasses
by: Lakshminarayana, G., et al.
Published: (2017)

A study of the nature of the oxidant in V2O5-MoO3/Al2O3 catalyst
by: Taufiq-Yap, Y.H., et al.
Published: (2001)

A study of the nature of the oxidant in V2O5-MoO3/Al2O3 catalyst
by: Taufiq-Yap, Y.H., et al.
Published: (2001)

Facile assembly of Bi2O3/Bi2S3/MoS2n-p heterojunction with layered n-Bi2O3 and p-MoS2 for enhanced photocatalytic water oxidation and pollutant degradation
by: Ke, Jun, et al.
Published: (2017)

Facile synthesis of a MoO2-Mo2C-C composite and its application as favorable anode material for lithium-ion batteries
by: Zhu, Y., et al.
Published: (2016)

Subsolidus formation and impedance spectroscopy studies of materials in the (Bi2O3)1−x (Y2O3)x binary system.
by: Tan, M.Y., et al.
Published: (2012)

Activity-composition relations in the system CaCO3-MgCO3 predicted from static structure energy calculations and Monte Carlo simulations
by: Vinograd, V., et al.
Published: (2006)

ZnO And MoSexOy Modified TiO2 Nanotubes For Photoelectrochemical And Sensing Applications
by: Ng, Siow Woon
Published: (2018)

Sr2Fe1.5Mo0.5O6-δ - Sm0.2Ce0.8O1.9 Composite Anodes for Intermediate-Temperature Solid Oxide Fuel Cells
by: He, Beibei, et al.
Published: (2012)

A coral-like Mo2C/TiO2 photoelectrode for photoelectrochemical water splitting
by: Siti Nurul Falaein Moridon,, et al.
Published: (2023)

Atomistic model of diopside–K-jadeite (CaMgSi2O6–KAlSi2O6) solid solution
by: Vinograd, V., et al.
Published: (2010)

Synthesis and characterization of MoX2 (X = O, S, Se, Te) and their electrochemical properties
by: Yeo, Wan Ping
Published: (2016)

High oxide ion conductivity in Bi2MoO6 oxidation catalyst
by: Sim, L. T., et al.
Published: (2001)

IR study of active sites for n-heptane isomerization over MoO3-ZrO2
by: Ruslan, Nurun Najwa, et al.
Published: (2011)

Coupled A1/Si and O/N order/disorder in BaYb[Si4-xA1xOxN7-x] sialon: neutron powder diffraction and Monte Carlo simulations
by: Vinograd, V., et al.
Published: (2007)

An investigation on shielding properties of BaO, MoO3 and P2O5 based glasses using MCNPX code
by: Agar, O., et al.
Published: (2019)

Air-stable doping of Bi2Se3 by MoO3 into the topological regime
by: Edmonds, M., et al.
Published: (2015)

Crystal structure of tetrakis(O,O′-diisopropyldithiophosphato-κ2S,S′)-(μ2-1,2-bis(4-pyridylmethylene)hydrazine-κ2N:N′)zinc(II), C36H66N4O8P4S8Zn2
by: Tan, Yee Seng *, et al.
Published: (2019)

Sequential Monte Carlo in sequence
by: Nur Nabihah Rusyda, Roslan, et al.
Published: (2022)

Characterization of soft-combustion-derived NASICON-type Li2Co2(MoO4)3 for lithium batteries
by: PRABAHARAN, S
Published: (2004)

Synthesis and characterization of MX2 and exfolation MX2 (M=Mo ,W; X = O, S, Se and Te) and their electrochemical properties
by: Poh, Yi Fei
Published: (2016)

Catalytic co-pyrolysis of oil palm trunk and polypropylene with Ni–Mo/TiO2 and Ni/Al2O3: Oil composition and mechanism
by: Terry, L.M., et al.
Published: (2023)

Charge distribution in YBa2Cu3O7 and YBa2Cu4O8 by density functional theory
by: Choon, Min Cheong, et al.
Published: (2016)

Composite fuel electrode La0.2Sr0.8TiO3–σ-Ce0.8Sm0.2O2-σ for electrolysis of CO2 in an oxygen-ion conducting solid oxide electrolyser
by: Li, Y., et al.
Published: (2012)

Anomalous elastic and optical behaviours of mixed electronic-ionic of xAg2O-(35-x)[0.5MoO3-0.5V2O5]-65TeO2 conductor glasses
by: Ismail, M., et al.
Published: (2016)

Dielectric properties of Ni0.2Zn0.8Fe2O4-polypropylene composites
by: Tan, Foo Khoon, et al.
Published: (2010)

A FIB-STEM study of La0.8Sr0.2MnO3 Cathode and Y2O3-ZrO2/Gd2O3-CeO2 electrolyte interfaces of solid oxide fuel cells
by: He, Shuai, et al.
Published: (2017)

Electrochemical performance of SrSc0.2Co0.8O 3-d cathode on Sm0.2Ce0.8O1.9 electrolyte for low temperature SOFCs
by: Zhou, W., et al.
Published: (2009)

Dielectric, elastic and optical properties of 80TeO2-(20-x) MnO2-xFe2O3 and 30Li2O-4MoO3-(66-x)TeO2-xV2O5 mixed oxide tellurite glasses in the conductivity anomaly region / Rosdiyana Hasham @ Hisam
by: Hasham @ Hisam, Rosdiyana
Published: (2017)

Dielectric, elastic and optical properties of 80TeO2-(20-x)MnO2-xFe2O3 and 30Li2O-4MoO3-(66-x)TeO2-xV2O5 mixed oxide tellurite glasses in the conductivity anomaly region / Rosdiyana Hasham@Hisam
by: Hasham@Hisam, Rosdiyana
Published: (2017)

From scheelite BaMoO4 to perovskite BaMoO3: Enhanced electrocatalysis toward the hydrogen evolution in alkaline media
by: Xu, Xiaomin, et al.
Published: (2020)

Three-dimensional kinetic Monte Carlo simulation of crystal growth from solution
by: Piana, Stefano, et al.
Published: (2006)

Application of Taguchi method in the optimization of biodiesel production from waste cooking oil using MoO3/SiO2 catalysts
by: Anwar, Nur Sharina
Published: (2012)

Interface formation and Mn segregation of directly assembled La0.8Sr0.2MnO3 cathode on Y2O3-ZrO2 and Gd2O3-CeO2 electrolytes of solid oxide fuel cells
by: He, S., et al.
Published: (2018)

New NASICON-type Li2Ni2(MoO4)3 as a positive electrode material for rechargeable lithium batteries
by: PRABAHARAN, S
Published: (2004)

Cannot write session to /tmp/vufind_sessions/sess_tn2b778dnoa4kg4u2jad0pbsbm