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20022013
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

Showing 2011 · cond-mat.str-elShow all

10 papers · 2 filters

cond-mat.str-el201145 cited

Proton diffusivity in the BaZr0.9Y0.1O3-δ proton conductor

Artur Braun, Sophie Duval, Peter Ried +7

The thermally activated proton diffusion in BaZr0.9Y0.1O3-δ was studied with electrochemical impedance spectroscopy (IS) and quasi-elastic neutron scattering (QENS) in the temperat…

cond-mat.str-el201130 cited

Protons in lattice confinement: Static pressure on the Y-substituted, hydrated BaZrO3 ceramic proton conductor decreases proton mobility

Qianli Chen, Artur Braun, Alejandro Ovalle +3

Yttrium substituted BaZrO3, with nominal composition BaZr0.9Y0.1O3, a ceramic proton conductor, was subject to impedance spectroscopy for temperatures 300 K < T < 715 K at mechanic…

cond-mat.str-el201158 cited

Evolution of an oxygen NEXAFS transition in the upper Hubbard band in α-Fe2O3 upon electrochemical oxidation

Debajeet K. Bora, Artur Braun, Selma Erat +6

Electrochemical oxidation of hematite (α-Fe2O3) nano-particulate films at 600 mV vs. Ag+/AgCl reference in KOH electrolyte forms a species at the hematite surface which causes a ne…

cond-mat.str-el20117 cited

Correlation of conductivity and angle integrated valence band photoemission characteristics in single crystal iron perovskites for 300 K < T < 800 K: Comparison of surface and bulk sensitive methods

A. Braun, B. S. Mun, Y. Sun +9

A single crystal monolith of La0.9Sr0.1FeO3 and thin pulsed laser deposited film of La0.8Sr0.2Fe0.8Ni0.2O3 were subject to angle integrated valence band photoemission spectroscopy…

cond-mat.str-el201117 cited

Entanglement of charge transfer, hole doping, exchange interaction and octahedron tilting angle and their influence on the conductivity of La1-xSrxFe0.75Ni0.25O3-δ: A combination of x-ray spectroscopy and diffraction

Selma Erat, Artur Braun, Cinthia Piamonteze +5

Substitution of La by Sr in the 25% Ni doped charge transfer insulator LaFeO3 creates structural changes that inflect the electrical conductivity caused by small polaron hopping vi…

cond-mat.str-el201169 cited

Nitrogen doping of TiO2 photocatalyst forms a second eg state in the Oxygen (1s) NEXAFS pre-edge

Artur Braun, Kranthi K. Akurati, Giuseppino Fortunato +5

Close inspection of the pre-edge in oxygen near-edge x-ray absorption fine structure spectra of single step, gas phase synthesized titanium oxynitride photocatalysts with 20 nm par…