Publication
Molecular Adsorption Changes the Quantum Structure of Oxide-Supported Gold Nanoparticles: Chemisorption versus Physisorption
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perform DFT calculations within the COSMO framework to study the adsorption properties of the CaHPOx (x = 1,...,4) phosphate family, and of the related HPOx acids, on a paradigmatic anatase (001) surface. Of particular interest is CaHPO4, a precursor of hy ...
ELSEVIER SCIENCE BV2019Design of Surface-Supported Bio-inspired Networks for CO2 and O2 Activation at Room Temperature
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ELSEVIER SCIENCE BV2018Transition metal clusters on h-BN/Rh(111)
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EPFL2017Highly selective immobilized bimetallic Ni-Au nanoparticle catalyst for the partial hydrogenation of m-dinitrobenzene
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Control over the physical properties of nanoparticle assemblies at a liquid–liquid interface is a key technological advancement to realize the dream of smart electrovariable nanosystems. Electrified interfaces, such as the interface between two immiscible ...
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Harald Brune, François Patthey, Edgar Fernandes, Fabio Donati, Zeljko Sljivancanin
We use Ca doping during growth of one- and two-monolayer-thick MgO films on Ag(100) to identify the adsorption sites of individual adatoms with scanning tunnelingmicroscopy. For thiswe combine atomic resolution images of the bare MgO layer with images of t ...
Amer Physical Soc2017Statistical mechanical model of gas adsorption in porous crystals with dynamic moieties
Berend Smit, Cory Matthew Simon, Efrem Daniel Braun
Some nanoporous, crystalline materials possess dynamic constituents, for example, rotatable moieties. These moieties can undergo a conformation change in response to the adsorption of guest molecules, which qualitatively impacts adsorption behavior. We pos ...
National Academy of Sciences2017