Functional Role of Fe-Doping in Co-Based Perovskite Oxide Catalysts for Oxygen Evolution Reaction – Journal of the American Chemical Society

Bae-Jung Kim,*,† Emiliana Fabbri,*,† Daniel F. Abbott,† Xi Cheng,† Adam H. Clark,† Maarten Nachtegaal,† Mario Borlaf,‡ Ivano E. Castelli,§ Thomas Graule,‡ and Thomas J. Schmidt†

Perovskite oxides have been at the forefront among catalysts for the oxygen evolution reaction (OER) in alkaline media offering a...

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Developers meeting 2019

The 2019 Quantum ESPRESSO developers’ meeting was held in SISSA, Trieste, on Jan. 7 (room 113) and Jan. 8 (room 128-129). Some preliminary documents can be found here and here. Program:

January 7th 2019

14:30-17:30: discussion...

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Walter Kohn prize 2018 winner

The 2018 Walter Kohn Prize for quantum-mechanical materials and molecular modeling has been awarded to Professor Gabriel Merino, a researcher from Centro de Investigación y de Estudios Avanzados (Cinvestav), Unidad Mérida, Mexico. The prize recognizes his pioneering work on predicting and understanding novel systems...

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QE developers’ meeting 2019

The 2019 Quantum ESPRESSO developers’ meeting will be held in SISSA, Trieste, on Jan. 7 (room 113) and Jan. 8 (room 128-129). Tentative program:

January 7th 2019

14:30-17:30: discussion on the status, actions to be taken, perspectives, of the GPU porting, also in view...

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QE developers’ meeting 2018

Agenda

February 1st 2018

9:30 – 9:55 — Paolo Giannozzi: Introduction. slides

10:00 – 10:25 — Andrea Dal Corso: Thermo_pw, a fortran driver for Quantum ESPRESSO routines – progress report. slides

10:30 – 10:55 — Samuel Poncé: Updates...

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