Computational design of functionalized metal–organic framework nodes for catalysis

V Bernales, MA Ortuño, DG Truhlar… - ACS Central …, 2018 - ACS Publications
Recent progress in the synthesis and characterization of metal–organic frameworks (MOFs)
has opened the door to an increasing number of possible catalytic applications. The great …

Structural motifs of water on metal oxide surfaces

R Mu, Z Zhao, Z Dohnálek, J Gong - Chemical Society Reviews, 2017 - pubs.rsc.org
Understanding water/solid interactions is of great importance in a variety of fundamental and
technological processes, such as photocatalytic water splitting, heterogeneous catalysis …

Microwave-mediated synthesis for improved morphology and pseudocapacitance performance of nickel oxide

SK Meher, P Justin, G Ranga Rao - ACS applied materials & …, 2011 - ACS Publications
Synthetic methods greatly control the structural and functional characteristics of the
materials. In this article, porous NiO samples were prepared in conventional-reflux and …

Modelling single atom catalysts for water splitting and fuel cells: A tutorial review

S Tosoni, G Di Liberto, I Matanovic… - Journal of Power Sources, 2023 - Elsevier
In this tutorial review we report the state-of-the-art of the modeling approaches of Single
Atom Catalysts (SAC) for water splitting and fuel cells reactions. The discussion applies for …

Oxide nanomaterials: synthetic developments, mechanistic studies, and technological innovations

GR Patzke, Y Zhou, R Kontic… - Angewandte Chemie …, 2011 - Wiley Online Library
Oxide nanomaterials are indispensable for nanotechnological innovations, because they
combine an infinite variety of structural motifs and properties with manifold morphological …

Surface chemistry and catalysis of oxide model catalysts from single crystals to nanocrystals

S Chen, F Xiong, W Huang - Surface Science Reports, 2019 - Elsevier
Fundamental understandings of surface chemistry and catalysis of solid catalysts are of
great importance for the developments of efficient catalysts and corresponding catalytic …

Unique properties of ceria nanoparticles supported on metals: novel inverse ceria/copper catalysts for CO oxidation and the water-gas shift reaction

SD Senanayake, D Stacchiola… - Accounts of Chemical …, 2013 - ACS Publications
Oxides play a central role in important industrial processes, includingapplications such as
the production of renewable energy, remediation of environmental pollutants, and the …

Understanding the reactivity of metallic nanoparticles: beyond the extended surface model for catalysis

F Vines, JRB Gomes, F Illas - Chemical Society Reviews, 2014 - pubs.rsc.org
Metallic nanoparticles (NPs) constitute a new class of chemical objects which are used in
different fields as diverse as plasmonics, optics, catalysis, or biochemistry. The atomic …

Dramatic reduction of the oxygen vacancy formation energy in ceria particles: a possible key to their remarkable reactivity at the nanoscale

A Migani, GN Vayssilov, ST Bromley, F Illas… - Journal of Materials …, 2010 - pubs.rsc.org
We address the formation of the energetically most favourable single oxygen vacancies in
ceria nanoparticles (CeO2) n focusing on their size dependence. We study a series of …

Inverse oxide/metal catalysts in fundamental studies and practical applications: a perspective of recent developments

JA Rodriguez, P Liu, J Graciani… - The journal of …, 2016 - ACS Publications
Inverse oxide/metal catalysts have shown to be excellent systems for studying the role of the
oxide and oxide–metal interface in catalytic reactions. These systems can have special …