Crystal growth, electrical resistivity and lattice parameters of RuO2 and IrO2

Butler, S. R.; Gillson, J.L.

doi:10.1016/0025-5408(71)90092-4

Cited by 61 publications

(26 citation statements)

References 6 publications

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“…The RuO 2 crystals, as large as 1ϫ2 mm 2 , were most probably formed using a vapor-phase transport mechanism. These crystals were found to be quite similar to those prepared by Butler and Gillson, 23 who give details of the growth procedure using oxygen as the transporting agent. A subsequent thermal-gravimetric analysis ͑TGA͒ on the resulting RuO 2 crystals indicated an oxygen to metal ratio of 2.02Ϯ0.02.…”

Section: Methodsmentioning

confidence: 56%

Raman-scattering observation of the rutile-to-CaCl2phase transition in RuO2

1997

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Using a diamond-anvil cell, we have probed the pressure-induced rutile-to-CaCl 2 ferroelastic phase transition in RuO 2 with Raman spectroscopy. The transition is marked by a splitting of the degenerate E g mode of the rutile phase into two nondegenerate components and by an abrupt change in the Grüneisen parameters for all the phonons. The behavior of this splitting shows good agreement with Landau's theory for a second-order phase transition, application of which yields a transition pressure of 11.8Ϯ0.3 GPa. ͓S0163-1829͑97͒03326-2͔

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Section: Methodsmentioning

confidence: 56%

Raman-scattering observation of the rutile-to-CaCl2phase transition in RuO2

1997

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“…High quality IrO 2 single crystals were synthesized by flux method [27]. ARPES measurements were performed at the beamline 4.0.3 and beamline 10.0.1 of the Advance Light Source (ALS), and beamline I05 of the Diamond Light Source (DLS) with an overall energy resolution better than 20 meV and a base pressure better than 1.5 × 10 −10 Torr.…”

Section: Methodsmentioning

confidence: 99%

“…The plane-wave basis cut off energy was set to 500 eV. -centered k points with a spacing of 0.03 Å [27]. It shares the common IrO 6 octahedrons as the basic structure component, similar to other iridium oxides.…”

Section: Methodsmentioning

confidence: 99%

Strong spin-orbit coupling and Dirac nodal lines in the three-dimensional electronic structure of metallic rutile IrO2

Jiang

Shi

et al. 2019

Phys. Rev. B

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Using high-resolution angle-resolved photoemission spectroscopy and ab initio calculation, we have studied the bulk and surface electronic structure of metallic rutile 5d transition metal oxide IrO 2 that harbors both edge and corner sharing Ir-O octahedrons. We observe strong modulation of the band structure by spin-orbit coupling (SOC). The measured band structure is well reproduced by our ab initio calculation without band renormalization, suggesting the absence of the SOC-enhanced correlation effect in IrO 2. In accordance with the calculation, we visualize two types of Dirac nodal lines (DNLs) protected by mirror symmetry and nonsymmorphic crystal symmetry, respectively. SOC gaps the first type of DNLs, which may contribute largely to the strong spin Hall effect. The second type of DNLs at the edges of Brillouin zone, however, remain intact against SOC. Our results not only provide important insights into the exotic transport properties of IrO 2 , but also shed light on the understanding of the role of SOC in the iridate family.

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“…As the RuO 2 (110)s urfaceh as already been studied theoretically in the CO 2 electroreduction mechanism, [29] we use this as the ChemSusChem 2016, 9,3230 -3243 www.chemsuschem.org basis of our study.R uO 2 is found in the rutile-type structure with lattice parameters a = 4.491 and c = 3.106 . [39] The lattice parameters estimated from our calculations are a = 4.537 and c = 3.135 .T his small discrepancye manates from our choice of the BEEF-vdW exchange correlation functional, [40] which belongs to the class of generalized gradienta pproximation (GGA)e xchange correlation functionals with nonlocal correlationt oa ccount for van der Waals interactions, for which GGA functionals overestimate lattice parameters slightly. [41] Following ap revious study by Karamad et al, [29] our supercell that represents the catalyst surfacec onsists of af ourt rilayer thick 2 1R uO 2 (110)s urface.…”

Section: Thermodynamic Principlesmentioning

confidence: 99%

Descriptors and Thermodynamic Limitations of Electrocatalytic Carbon Dioxide Reduction on Rutile Oxide Surfaces

2016

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A detailed understanding of the electrochemical reduction of CO into liquid fuels on rutile metal oxide surfaces is developed by using DFT calculations. We consider oxide overlayer structures on RuO (1 1 0) surfaces as model catalysts to elucidate the trends and limitations in the CO reduction reaction (CO2RR) based on thermodynamic analysis. We aim to specify the requirements for CO2RR catalysts to establish adsorbate scaling relations and use these to derive activity volcanoes. Computational results show that the OH* binding free energy is a good descriptor of the thermodynamic limitations and it defines the left leg of the activity volcano for CO2RR. HCOOH* is a key intermediate for products formed through further reduction, for example, methanediol, methanol, and methane. The surfaces that do not bind HCOOH* are selective towards formic acid (HCOOH) production, but hydrogen evolution limits their suitability. We determine the ideal binding free energy for H* and OH* to facilitate selective CO2RR over H /CO evolution to be ΔG [H]>0.5 eV and -0.5 eV<ΔG [OH]<0.1 eV. The Re-containing overlayers considered in this work display excellent promise for selectivity, although they are active at a highly reducing potential.

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Crystal growth, electrical resistivity and lattice parameters of RuO2 and IrO2

Cited by 61 publications

References 6 publications

Raman-scattering observation of the rutile-to-CaCl2phase transition in RuO2

Raman-scattering observation of the rutile-to-CaCl2phase transition in RuO2

Strong spin-orbit coupling and Dirac nodal lines in the three-dimensional electronic structure of metallic rutile IrO2

Descriptors and Thermodynamic Limitations of Electrocatalytic Carbon Dioxide Reduction on Rutile Oxide Surfaces

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