PDF Publication Title:
Text from PDF Page: 104
92 CHAPTER6. BIBLIOGRAPHY [143] [144] [145] [146] [147] [148] [149] [150] [151] [152] [153] [154] [155] [156] [157] [158] [159] [160] [161] real-space implementation of the projector augmented-wave method, J. Phys.: Condens. Matter 22 (2010) 253202, doi:10.1088/0953-8984/22/25/253202. G.I.Csonka,J.P.Perdew,A.Ruzsinszky,P.H.T.Philipsen,S.Lebègue,J.Paier,O.A.Vydrov, J. G. Ángyán, Assessing the performance of recent density functionals for bulk solids, Phys. Rev. B 79 (2009) 155107, doi:10.1103/PhysRevB.79.155107. S. Kurth, J. P. Perdew, P. Blaha, Molecular and solid-state tests of density functional approx- imations: LSD, GGAs, and meta-GGAs, Int. J. Quantum Chem. 75 (1999) 889–909, doi: 10.1002/(SICI)1097-461X(1999)75:4/5<889::AID-QUA54>3.0.CO;2-8. K.Yang,J.Zheng,Y.Zhao,D.G.Truhlar,TestsoftheRPBE,revPBE,τ-HCTHhyb,ωB97X-D, and MOHLYP density functional approximations and 29 others against representative databases for diverse bond energies and barrier heights in catalysis, J. Chem. Phys. 132 (2010) 164117. M. Marlo, V. Milman, Density-functional study of bulk and surface properties of titanium ni- tride using different exchange-correlation functionals, Phys. Rev. B 62 (2000) 2899–2907, doi: 10.1103/PhysRevB.62.2899. R. Peverati, D. G. Truhlar, Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics, Philos. Trans. A Math. Phys. Eng. Sci. 372 (2014) 20120476–20120476, doi:10.1098/rsta.2012.0476. J.P.Perdew,K.Burke,M.Ernzerhof,GeneralizedGradientApproximationMadeSimple,Phys. Rev. Lett. 77 (1996) 3865–3868, doi:10.1103/PhysRevLett.77.3865. A. D. Becke, Density-functional exchange-energy approximation with correct asymptotic be- havior, Phys. Rev. A 38 (1988) 3098–3100, doi:10.1103/physreva.38.3098. B. Hammer, L. B. Hansen, J. K. Nørskov, Improved adsorption energetics within density- functional theory using revised Perdew-Burke-Ernzerhof functionals, Phys. Rev. B 59 (1999) 7413–7421, doi:10.1103/PhysRevB.59.7413. J. Wellendorff, T. L. Silbaugh, D. Garcia-Pintos, J. K. Nørskov, T. Bligaard, F. Studt, C. T. Campbell, A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals, Surf. Sci. doi:10.1016/j.susc.2015.03.023. J.K.Nørskov,J.Rossmeisl,A.Logadottir,L.Lindqvist,J.R.Kitchin,T.Bligaard,H.Jónsson, Origin of the overpotential for oxygen reduction at a fuel-cell cathode, J. Phys. Chem. B 108 (2004) 17886–17892, doi:10.1021/jp047349j. J.K.Nørskov,T.Bligaard,J.Rossmeisl,C.H.Christensen,Towardsthecomputationaldesign of solid catalysts, Nat. Chem. 1 (2009) 37–46. K. Honkala, Ammonia Synthesis from First-Principles Calculations, Science 307 (2005) 555–558, doi:10.1126/science.1106435. J.Tao,J.Perdew,V.Staroverov,G.Scuseria,ClimbingtheDensityFunctionalLadder:Nonem- pirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids, Phys. Rev. Lett. 91, doi:10.1103/physrevlett.91.146401. P.J.Stephens,F.J.Devlin,C.F.Chabalowski,M.J.Frisch,Abinitiocalculationofvibrational absorption and circular dichroism spectra using density functional force fields, J. Phys. Chem. 98 (1994) 11623–11627, doi:10.1021/j100096a001. A. D. Becke, Density-functional thermochemistry. III. The role of exact exchange, J. Chem. Phys. 98 (1993) 5648–5652. B. Himmetoglu, A. Floris, S. de Gironcoli, M. Cococcioni, Hubbard-corrected DFT energy functionals: the LDA+U description of correlated System, Int. J. Quantum Chem. 114 (2014) 14–49, doi:10.1002/qua.24521. J.P.Perdew,A.Ruzsinszky,J.Tao,V.N.Staroverov,G.E.Scuseria,G.I.Csonka,Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits, J. Chem. Phys. 123 (2005) 062201, doi:10.1063/1.1904565. T.Olsen,K.S.Thygesen,AccurateGroundStateEnergiesofSolidsandMoleculesfromTime Dependent Density Functional Theory, Phys. Rev. Lett. . T. S. Jauho, T. Olsen, T. Bligaard, K. S. Thygesen, Improved description of metal oxide sta- bility: Beyond the random phase approximation with renormalized kernels, Phys. Rev. B 92, doi:10.1103/physrevb.92.115140.PDF Image | Studies of Electrode Processes in Industrial Electrosynthesis
PDF Search Title:
Studies of Electrode Processes in Industrial ElectrosynthesisOriginal File Name Searched:
electrosynthesis.pdfDIY PDF Search: Google It | Yahoo | Bing
Salgenx Redox Flow Battery Technology: Power up your energy storage game with Salgenx Salt Water Battery. With its advanced technology, the flow battery provides reliable, scalable, and sustainable energy storage for utility-scale projects. Upgrade to a Salgenx flow battery today and take control of your energy future.
CONTACT TEL: 608-238-6001 Email: greg@salgenx.com (Standard Web Page)