Tailoring stability of anosovite for titanium extraction: A first-principles study on bond weakening induced by impurity substitution

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The nature of the triple B≡B, double, B=B, single, B–B, and one-electron, B·B boron-boron bonds from the topological analysis of electron localisation function (ELF) perspective

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Cu, Ni, Ag, and Fe densities of states

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The electronic structure of graphite: a chemist’s introduction to band theory

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First-principles investigation of phonon dynamics and electrochemical performance of TiO2-x oxides lithium-ion batteries

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Determining the formation enthalpies and phase diagram of high-density uranium fuels by mixing GGA and GGA + U calculations

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LOPOSTER: a cascading postprocessor for LOBSTER

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Lithium doping effect on structural, electronic and optical properties of KCaF3 fluoroperovskite: DFT insights using GGA-PBE

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Dual descriptors within the framework of spin-polarized density functional theory

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Stabilization of microcrystal λ-Ti3O5 at room temperature by aluminum-ion doping

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High pressure dissociation of CaTiO3 perovskite into CaO and CaTi2O5

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Regulating electronic structures and phase stability of Mg-substituted anosovite polymorphs: insights from first-principles calculations

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Effects of additives on the phase transformation, occurrence state, and the interface of the Ti component in Ti-bearing blast furnace slag

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Combined effect of SiO2 and O2 on the crystallization behavior of modified Ti-bearing blast furnace slag

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Mechanism of silica-mediated phase separation for selective crystallization and enrichment of rutile in titanium-bearing electric arc furnace slag

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Volatilization kinetics of Mg and MgCl2 in titanium sponge

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Simulation of circulating flow in an annular channel for production of titanium pigment through the chloride process

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Structure and transport properties of titanium oxide (Ti2O, TiO1+δ, and Ti3O5) thin films

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Process optimization of metallurgical dust recycling by direct reduction in rotary hearth furnace

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Effect of amount of carbon on the reduction efficiency of iron ore-coal composite pellets in multi-layer bed rotary hearth furnace (RHF)

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Overall utilization of Ti-extraction blast furnace slag as a raw building material: removal of chlorine from slag by water washing and sintering

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Perovskite–perovskite homojunctions via compositional doping

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Material metabolism and environmental emissions of BF-BOF and EAF steel production routes

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Experimental analysis on the use of BF-sludge for the reduction of BOF-powders to direct reduced iron (DRI) production

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Characterization and pre-concentration of low-grade vanadium-titanium magnetite ore

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Determining anisotropic reactive facet of ilmenite photocatalyst with Hubbard U assisted density functional theory

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The digestion of New Zealand ilmenite by hydrochloric acid

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