Blar i Institutt for kjemi på forfatter "Chen, De"
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Catalytic conversion of biomass
Calleja Aguado, Raquel (Master thesis, 2013)Catalytic processes for conversion of biomass to transportation fuels have gained an increasing attention in sustainable energy production. The biomass can be converted to fuels via three platforms, such as fast pylolysis ... -
Chemical Bonding and Electronic Properties of the Co Adatom and Dimer Interacting with Polyaromatic Hydrocarbons
Mahmoodinia, Mehdi; Åstrand, Per-Olof; Chen, De (Journal article, 2015)The density functional calculations presented here elucidate the nature of the interaction between the Co atom and dimer with a polyaromatic hydrocarbon (PAH). The results are analyzed in terms of structural, electronic, ... -
Electronic Structure, Stability, and Chemical Reactivity of Transition-Metal Catalysts Supported by Graphene Nanomaterials
Mahmoodinia, Mehdi (Doctoral theses at NTNU;2017:353, Doctoral thesis, 2017)Graphene, a 2D monolayer of graphite, has emerged as a novel material in many areas, such as catalysis and energy storage devices. Because of fascinating properties, such as remarkable surface area, superior electric ... -
Evolution of Carbon Nanofiber-Supported Pt Nanoparticles of Different Particle Sizes: A Molecular Dynamics Study
Cheng, Hong-ye; Zhu, Yi-An; Chen, De; Åstrand, Per-Olof; Li, Ping; Qi, Zhiwen; Zhou, Xing-Gui (Journal article, 2014)Molecular dynamics simulations employing the ReaxFF reactive force field have been carried out to analyze the structural evolution of fishbone-type carbon nanofiber-supported Pt nanoparticles, with particle size ranging ... -
Influence of Carbon Support on Electronic Structure and Catalytic Activity of Pt Catalysts: Binding to the CO Molecule
Mahmoodinia, Mehdi; Åstrand, Per-Olof; Chen, De (Journal article, 2016)Single-atom catalysts, especially with single Pt atoms, exhibit potentially improved catalytic activity as compared to metal clusters and metal surfaces. Here, the atop and bridged bondings of the CO molecule on the Pt/C ... -
One-pot Conversion of Biomass to Ethylene Glycol, Propylene Glycol and other Polyols over Carbon Supported Tungsten Catalysts
Bjørgen, Cecilie (Master thesis, 2013)Tungsten carbide and nickel promoted tungsten oxide catalysts supported on CNTs and AC were prepared for the catalytic conversion of cellulose towards polyols, particularly EG. Incipient wetness impregnation was used for ... -
Structural and electronic properties of the Ptn–PAH complex (n = 1, 2) from density functional calculations
Mahmoodinia, Mehdi; Ebadi, Mahsa; Åstrand, Per-Olof; Chen, De; Cheng, Hong-ye; Zhu, Yi-An (Journal article, 2014)A detailed density functional study of the Pt atom and the Pt dimer adsorption on a polyaromatic hydrocarbon (PAH) is presented. The preferred adsorption site for a Pt atom is confirmed to be the bridge site. Upon adsorption ... -
Tuning the Electronic Properties of Single-Atom Pt Catalysts by Functionalization of the Carbon Support Material
Mahmoodinia, Mehdi; Åstrand, Per-Olof; Chen, De (Journal article; Peer reviewed, 2017)When using support materials in heterogeneous catalysis, a fundamental understanding of the interactions between the catalyst and the support material is of critical importance. In this work, the stability, electronic ... -
Vapour phase conversion of acetic acid over metal oxide catalysts at hydropyrolysis conditions.
Peters, Robert Lennard (Master thesis, 2023)De utslippet av drivhusgasser i løpet av de siste 150 årene har ført til klimaendringer, noe som tvinger verden til å finne alternative måter å produsere transportbrensel og plattformkjemi på. Tre er et lett tilgjengelig ...