Publications by authors named "Simone Piccinin"

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Exploring the Impact of Ionic Additives on the Structure and Energetics of Dye-Sensitized NiO Interfaces: Insights from Electrochemistry and First-Principles Calculations.
Alekos Segalina, Rita Boaretto, Stefano Caramori, Simone Piccinin, Mariachiara Pastore

ACS Appl Mater Interfaces· January 2025

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Low-Temperature Methane Activation Reaction Pathways over Mechanochemically-Generated Ce/Cu Interfacial Sites.
Silvia Mauri, Rudy Calligaro, Carlo Federico Pauletti, Matteo Farnesi Camellone, Marta Boaro, Simone Piccinin

Small· October 2024

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Toward Realistic Models of the Electrocatalytic Oxygen Evolution Reaction.
Travis E Jones, Detre Teschner, Simone Piccinin

Chem Rev· August 2024

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Correction to "Understanding Anomalous Gas-Phase Peak Shifts in Dip-and-Pull Ambient Pressure XPS Experiments".
Detre Teschner, Julius Plescher, Simone Piccinin, Travis E Jones, Adnan Hammud

J Phys Chem C Nanomater Interfaces· June 2024

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Direct and indirect role of Fe doping in NiOOH monolayer for water oxidation catalysis.
Manish Kumar, Simone Piccinin, Varadharajan Srinivasan

Chemphyschem· July 2022

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Structure and Energetics of Dye-Sensitized NiO Interfaces in Water from Ab Initio MD and Large-Scale GW Calculations.
Alekos Segalina, Sébastien Lebègue, Dario Rocca, Simone Piccinin, Mariachiara Pastore

J Chem Theory Comput· August 2021

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Publisher Correction: Key role of chemistry versus bias in electrocatalytic oxygen evolution.
Hong Nhan Nong, Lorenz J Falling, Arno Bergmann, Malte Klingenhof, Hoang Phi Tran, Simone Piccinin

Nature· January 2021

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Key role of chemistry versus bias in electrocatalytic oxygen evolution.
Hong Nhan Nong, Lorenz J Falling, Arno Bergmann, Malte Klingenhof, Hoang Phi Tran, Simone Piccinin

Nature· November 2020

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Formation of a 2D Meta-stable Oxide by Differential Oxidation of AgCu Alloys.
Kevin Schweinar, Sebastian Beeg, Caroline Hartwig, Catherine R Rajamathi, Olga Kasian, Simone Piccinin

ACS Appl Mater Interfaces· May 2020

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Quantitative Analysis of the Oxidation State of Cobalt Oxides by Resonant Photoemission Spectroscopy.
Yaroslava Lykhach, Simone Piccinin, Tomáš Skála, Manon Bertram, Nataliya Tsud

J Phys Chem Lett· October 2019

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The band structure and optical absorption of hematite (α-FeO): a first-principles GW-BSE study.
Simone Piccinin

Phys Chem Chem Phys· February 2019

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Understanding the electrochemical double layer at the hematite/water interface: A first principles molecular dynamics study.
Kanchan Ulman, Emiliano Poli, Nicola Seriani, Simone Piccinin, Ralph Gebauer

J Chem Phys· January 2019

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Are multiple oxygen species selective in ethylene epoxidation on silver?
Emilia A Carbonio, Tulio C R Rocha, Alexander Yu Klyushin, Igor Píš, Elena Magnano, Simone Piccinin

Chem Sci· January 2018

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observation of reactive oxygen species forming on oxygen-evolving iridium surfaces.
Verena Pfeifer, Travis E Jones, Juan J Velasco Vélez, Rosa Arrigo, Simone Piccinin

Chem Sci· March 2017

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Reactive oxygen species in iridium-based OER catalysts.
Verena Pfeifer, Travis E Jones, Sabine Wrabetz, Cyriac Massué, Juan J Velasco Vélez, Simone Piccinin

Chem Sci· November 2016

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Thermodynamic and spectroscopic properties of oxygen on silver under an oxygen atmosphere.
Travis E Jones, Tulio C R Rocha, Axel Knop-Gericke, Catherine Stampfl, Robert Schlögl, Simone Piccinin

Phys Chem Chem Phys· April 2015

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Rigid- and polarizable-ion potentials for modeling Ru-polyoxometalate catalysts for water oxidation.
Changru Ma, Simone Piccinin, Stefano Fabris

Acta Chim Slov· September 2014

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Adsorbate induced vacancy formation on silver surfaces.
Travis E Jones, Tulio C R Rocha, Axel Knop-Gericke, Catherine Stampfl, Robert Schlögl, Simone Piccinin

Phys Chem Chem Phys· May 2014

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Interface structure and reactivity of water-oxidation Ru-polyoxometalate catalysts on functionalized graphene electrodes.
Changru Ma, Simone Piccinin, Stefano Fabris

Phys Chem Chem Phys· March 2014

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Photo-driven oxidation of water on α-Fe2O3 surfaces: an ab initio study.
Manh-Thuong Nguyen, Nicola Seriani, Simone Piccinin, Ralph Gebauer

J Chem Phys· February 2014

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Energetics of Water Oxidation Catalyzed by Cobalt Oxide Nanoparticles: Assessing the Accuracy of DFT and DFT+U Approaches against Coupled Cluster Methods.
Karolina Kwapien, Simone Piccinin, Stefano Fabris

J Phys Chem Lett· December 2013

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Ag-Cu catalysts for ethylene epoxidation: selectivity and activity descriptors.
Ngoc Linh Nguyen, Stefano de Gironcoli, Simone Piccinin

J Chem Phys· May 2013

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Water oxidation surface mechanisms replicated by a totally inorganic tetraruthenium-oxo molecular complex.
Simone Piccinin, Andrea Sartorel, Giuliana Aquilanti, Andrea Goldoni, Marcella Bonchio

Proc Natl Acad Sci U S A· March 2013

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Atomistic structure of cobalt-phosphate nanoparticles for catalytic water oxidation.
Xiao Liang Hu, Simone Piccinin, Alessandro Laio, Stefano Fabris

ACS Nano· December 2012

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A first principles study of water oxidation catalyzed by a tetraruthenium-oxo core embedded in polyoxometalate ligands.
Simone Piccinin, Stefano Fabris

Phys Chem Chem Phys· May 2011

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