Publications

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Kristoffersen HH, Metiu H. 2016. Structure of V2O5· n H2O Xerogels. The Journal of Physical Chemistry C. 120:3986–3992.

Kristoffersen HH, Metiu H. 2016. Structure and Oxidizing Power of Single Layer $\alpha$-V2O5. Topics in Catalysis. 59:809–816.

Kristoffersen HH, Neilson HL, Buratto SK, Metiu H. 2017. Stability of V2O5 Supported on Titania in the Presence of Water, Bulk Oxygen Vacancies, and Adsorbed Oxygen Atoms. The Journal of Physical Chemistry C. 121:8444–8451.

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Kristoffersen HH, Metiu H. 2015. Reconstruction of Low-Index $\alpha$-V2O5 Surfaces. The Journal of Physical Chemistry C.

Huang C, Kristoffersen HH, Gong X-Q, Metiu H. 2016. Reactions of Molten LiI with I2, H2O, and O2 Relevant to Halogen-Mediated Oxidative Dehydrogenation of Alkanes. Journal of Physical Chemistry C. 120(9):4931–4936.

Agarwal V, Metiu H. 2019. Rates of adsorption and desorption: Entropic contributions and errors due to mean-field approximations. The Journal of chemical physics. 150:184702.

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Tarazkar M, Metiu H, Kristoffersen HH. 2021. Properties of Methane and Carbon Adsorbed at the Interface between Molten NaBr and Ni (111). The Journal of Physical Chemistry C. 125:3980–3987.

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Agarwal V, Metiu H. 2016. Oxygen Vacancy Formation on $\alpha$-MoO3 Slabs and Ribbons. Journal of Physical Chemistry C. 120(34):19252-19264.

Yu J, Scheffler M, Metiu H. 2013. Oxidative Dehydrogenation of Methane by Isolated Vanadium Oxide Clusters Supported on Au (111) and Ag (111) Surfaces. The Journal of Physical Chemistry C. 117:18475–18483.

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Kristoffersen HH, Metiu H. 2015. Molten LiCl Layer Supported on MgO: Its Possible Role in Enhancing the Oxidative Dehydrogenation of Ethane. The Journal of Physical Chemistry C. 119:8681–8691.

Palmer C, Tarazkar M, Kristoffersen HH, Gelinas J, Gordon MJ, McFarland EW, Metiu H. 2019. Methane Pyrolysis with a Molten Cu–Bi Alloy Catalyst. ACS Catalysis.

Derk AR, Li B, Sharma S, Moore GM, McFarland EW, Metiu H. 2013. Methane Oxidation by Lanthanum Oxide Doped with Cu, Zn, Mg, Fe, Nb, Ti, Zr, or Ta: the Connection Between the Activation Energy and the Energy of Oxygen-Vacancy Formation. Catalysis Letters. 143(5):406–410.

Sun XY, Li B, Metiu H. 2013. Methane Dissociation on Li-, Na-, K-, and Cu-Doped Flat and Stepped CaO (001). The Journal of Physical Chemistry C. 117:7114–7122.

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Singh N, Upham DC, Liu R-F, Burk JJames, Economou NJohn, Buratto SK, Metiu H, McFarland EW. 2014. Investigation of the active sites of rhodium sulfide for hydrogen evolution/oxidation using carbon monoxide as a probe. Langmuir.

Kristoffersen HH, Metiu H. 2016. Interaction between Monomeric Vanadium Oxide Clusters Supported on Titania and Its Influence on Their Reactivity. Journal of Physical Chemistry C. 120(25)

Zeng J, Tarazkar M, Palmer C, Gordon MJ, Metiu H, McFarland EW. 2021. Initial Steps in CH4 Pyrolysis on Cu and Ni. The Journal of Physical Chemistry C.

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Chrétien S, Metiu H. 2015. Hydrogen Dissociative Adsorption on Lanthana: Polaron Formation and the Role of Acid–Base Interactions. The Journal of Physical Chemistry C.

Agarwal V, Metiu H. 2015. Hydrogen Abstraction Energies and Ammonia Binding to BEA, ZSM-5, and $\alpha$-Quartz Doped with Al, Sc, B, or Ga. The Journal of Physical Chemistry C. 119:16106–16114.

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Sun XY, Li B, Metiu H. 2013. Ethane Activation by Nb-Doped NiO. The Journal of Physical Chemistry C. 117:23597–23608.

Hu Z, Metiu H. 2011. Effect of Dopants on the Energy of Oxygen-Vacancy Formation at the Surface of Ceria: Local or Global? Journal of Physical Chemistry C. 115(36):17898–17909.

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Palmer C, D Upham C, Smart S, Gordon MJ, Metiu H, McFarland EW. 2020. Dry reforming of methane catalysed by molten metal alloys. Nature Catalysis. 3:83–89.

Li B, Metiu H. 2012. Does Halogen Adsorption Activate the Oxygen Atom on an Oxide Surface? I. A Study of Br 2 and HBr Adsorption on La 2 O 3 and La 2 O 3 Doped with Mg or Zr Journal of Physical Chemistry C. 116(6):4137–4148.

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Sharma S, Hu Z, Zhang P, McFarland EW, Metiu H. 2011. CO2 methanation on Ru-doped ceria. Journal of Catalysis. 278:297–309.

Kristoffersen HH, Shea J-E, Metiu H. 2015. Catechol and HCl Adsorption on TiO2 (110) in Vacuum and at the Water–TiO2 Interface. The journal of physical chemistry letters. 6:2277–2281.

D Upham C, Agarwal V, Khechfe A, Snodgrass ZR, Gordon MJ, Metiu H, McFarland EW. 2017. Catalytic molten metals for the direct conversion of methane to hydrogen and separable carbon. Science. 358:917–921.

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Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 1720256) at UC Santa Barbara.