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First Principles Study on Ta₃N₅:Ti₃O₃N₂ Solid Solution As a Water-Splitting PhotocatalystYABI WU; CEDER, Gerbrand.Journal of physical chemistry. C. 2013, Vol 117, Num 47, pp 24710-24715, issn 1932-7447, 6 p.Article

Investigation of the Effect of Functional Group Substitutions on the Gas-Phase Electron Affinities and Ionization Energies of Room-Temperature Ionic Liquids Ions using Density Functional TheorySHYUE PING ONG; CEDER, Gerbrand.Electrochimica acta. 2010, Vol 55, Num 11, pp 3804-3811, issn 0013-4686, 8 p.Article

Toward computational materials design : The impact of density functional theory on materials researchHAFNER, Jurgen; WOLVERTON, Christopher; CEDER, Gerbrand et al.MRS bulletin. 2006, Vol 31, Num 9, pp 659-665, issn 0883-7694, 7 p.Article

Accuracy of ab initio methods in predicting the crystal structures of metals : A review of 80 binary alloysCURTAROLO, Stefano; MORGAN, Dane; CEDER, Gerbrand et al.Calphad. 2005, Vol 29, Num 3, pp 163-211, issn 0364-5916, 49 p.Article

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Ab initio study of the composition dependence of the pressure-induced spin transition in the (Mg_1-x,Fe_x)O systemPERSSON, Kristin; BENGTSON, Amelia; CEDER, Gerbrand et al.Geophysical research letters. 2006, Vol 33, Num 16, issn 0094-8276, L16306.1-L16306.5Article

Electrochemical properties of NaNi_1/3Co_1/3Fe_1/3O₂ as a cathode material for Na-ion batteriesVASSILARAS, Plousia; TOUMAR, Alexandra J; CEDER, Gerbrand et al.Electrochemistry communications. 2014, Vol 38, pp 79-81, issn 1388-2481, 3 p.Article

Automatic construction, implementation and assessment of Pettifor mapsMORGAN, Dane; RODGERS, John; CEDER, Gerbrand et al.Journal of physics. Condensed matter (Print). 2003, Vol 15, Num 25, pp 4361-4369, issn 0953-8984, 9 p.Article

A comparison of destabilization mechanisms of the layered Na_xMO₂ and Li_xMO₂ compounds upon alkali de-intercalationKIM, Sangtae; XIAOHUA MA; SHYUE PING ONG et al.PCCP. Physical chemistry chemical physics (Print). 2012, Vol 14, Num 44, pp 15571-15578, issn 1463-9076, 8 p.Article

Nanoscale Stabilization of Sodium Oxides: Implications for Na―O₂ BatteriesSHINYOUNG KANG; YIFEI MO; SHYUE PING ONG et al.Nano letters (Print). 2014, Vol 14, Num 2, pp 1016-1020, issn 1530-6984, 5 p.Article

Synthesis, electrochemical properties, and phase stability of Li₂NiO₂ with the Immm structureKANG, Kisuk; CHEN, Ching-Hsiang; BING JOE HWANG et al.Chemistry of materials. 2004, Vol 16, Num 13, pp 2685-2690, issn 0897-4756, 6 p.Article

Thermal stabilities of delithiated olivine MPO₄ (M = Fe, Mn) cathodes investigated using first principles calculationsSHYUE PING ONG; JAIN, Anubhav; HAUTIER, Geoffroy et al.Electrochemistry communications. 2010, Vol 12, Num 3, pp 427-430, issn 1388-2481, 4 p.Article

Coarse-graining protein energetics in sequence variablesFEI ZHOU; GRIGORYAN, Gevorg; LUSTIG, Steve R et al.Physical review letters. 2005, Vol 95, Num 14, pp 148103.1-148103.4, issn 0031-9007Article

O3-type Na(Mn_0.25Fe_0.25Co_0.25Ni_0.25)O₂: A quaternary layered cathode compound for rechargeable Na ion batteriesXIN LI; DI WU; ZHOU, Yong-Ning et al.Electrochemistry communications. 2014, Vol 49, pp 51-54, issn 1388-2481, 4 p.Article

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The composite rods of MnO and multi-walled carbon nanotubes as anode materials for lithium ion batteriesXIAOFEI SUN; YOULONG XU; PENG DING et al.Journal of power sources. 2013, Vol 244, pp 690-694, issn 0378-7753, 5 p.Conference Paper

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Ab initio screening of metal sorbents for elemental mercury capture in syngas streamsJAIN, Anubhav; SEYED-REIHANI, S.-A; FISCHER, Christopher C et al.Chemical engineering science. 2010, Vol 65, Num 10, pp 3025-3033, issn 0009-2509, 9 p.Article