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Publications by S. I. Simak

Charge Redistribution Mechanisms of Ceria Reduction

Physical Review Letters
AstronomyPhysics
2012English

Carbon-Rich Icosahedral Boron Carbides beyondB4Cand Their Thermodynamic Stabilities at High Temperature and Pressure From First Principles

Physical Review B
OpticalElectronicCondensed Matter PhysicsMagnetic Materials
2016English

Oxygen Incorporation in Ti2AlC: Tuning of Anisotropic Conductivity

Applied Physics Letters
AstronomyPhysics
2010English

Mixing and Decomposition Thermodynamics Ofc−Ti1−xAlxNfrom First-Principles Calculations

Physical Review B
2007English

Screened Coulomb Interactions in Metallic Alloys. II. Screening Beyond the Single-Site and Atomic-Sphere Approximations

Physical Review B
2002English

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Publisher Correction: Theory-Guided Design of Catalytic Materials Using Scaling Relationships and Reactivity Descriptors

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Seeing Hydrogen

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