The electronic structure of iridium and its oxides

V Pfeifer, TE Jones, JJ Velasco Vélez… - Surface and …, 2016 - Wiley Online Library
Iridium‐based materials are among the most active and stable electrocatalysts for the
oxygen evolution reaction. Amorphous iridium oxide structures are found to be more active …

The electronic structure of iridium oxide electrodes active in water splitting

V Pfeifer, TE Jones, JJV Vélez, C Massué… - Physical Chemistry …, 2016 - pubs.rsc.org
Iridium oxide based electrodes are among the most promising candidates for
electrocatalyzing the oxygen evolution reaction, making it imperative to understand their …

Relativistic mean-field hadronic models under nuclear matter constraints

M Dutra, O Lourenço, SS Avancini, BV Carlson… - Physical Review C, 2014 - APS
Background: The microscopic composition and properties of infinite hadronic matter at a
wide range of densities and temperatures have been subjects of intense investigation for …

Structural and electronic engineering of Ir-doped Ni-(oxy) hydroxide nanosheets for enhanced oxygen evolution activity

J Liu, J **ao, Z Wang, H Yuan, Z Lu, B Luo, E Tian… - ACS …, 2021 - ACS Publications
Discovering highly active and stable electrocatalysts for the oxygen evolution reaction (OER)
is critical to the commercial development of many next-generation energy conversion and …

Impact of Ir-Valence Control and Surface Nanostructure on Oxygen Evolution Reaction over a Highly Efficient Ir–TiO2 Nanorod Catalyst

J Cheng, J Yang, S Kitano, G Juhasz, M Higashi… - ACS …, 2019 - ACS Publications
Iridium oxide (IrO x)-based materials are the most suitable oxygen evolution reaction (OER)
catalysts for water electrolysis in acidic media. There is a strong demand from industry for …

Machine learning classical interatomic potentials for molecular dynamics from first-principles training data

H Chan, B Narayanan, MJ Cherukara… - The Journal of …, 2019 - ACS Publications
The ever-increasing power of modern supercomputers, along with the availability of highly
scalable atomistic simulation codes, has begun to revolutionize predictive modeling of …

Adsorption and activation of methane on the (110) surface of rutile-type metal dioxides

Y Tsuji, K Yoshizawa - The Journal of Physical Chemistry C, 2018 - ACS Publications
Methane strongly adsorbs on the (110) surface of IrO2, a rutile-type metal dioxide. Its C–H
bond is facilely dissociated even below room temperature, as predicted in a few theoretical …

Spin–orbit effects in pentavalent iridates: models and materials

S Bhowal, I Dasgupta - Journal of Physics: Condensed Matter, 2021 - iopscience.iop.org
Spin–orbit effects in heavy 5d transition metal oxides, in particular, iridates, have received
enormous current interest due to the prediction as well as the realization of a plethora of …

Coulomb correlations in 4d and 5d oxides from first principles—or how spin–orbit materials choose their effective orbital degeneracies

C Martins, M Aichhorn, S Biermann - Journal of Physics …, 2017 - iopscience.iop.org
The interplay of spin–orbit coupling and Coulomb correlations has become a hot topic in
condensed matter theory and is especially important in 4d and 5d transition metal oxides …

Preparation of Solid Solution and Layered IrOx–Ni(OH)2 Oxygen Evolution Catalysts: Toward Optimizing Iridium Efficiency for OER

J Ruiz Esquius, G Algara-Siller, I Spanos… - ACS …, 2020 - ACS Publications
Minimizing iridium loading in oxygen evolution reaction (OER) catalysts, without impairing
electrocatalytic activity and stability is crucial to reduce the cost of water electrolysis. In this …