Sökning: "dynamical effects on reactivity"

Hittade 2 avhandlingar innehållade orden dynamical effects on reactivity.

  1. 1. Dynamics of metal oxides surfaces and the connection to reactivity

    Författare :Micael Baudin; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemistry; metal oxide surfaces; single crystal; molecular dynamics; dynamical effects onreactivity; Kemi; Chemistry; Kemi; Inorganic Chemistry; oorganisk kemi;

    Sammanfattning : Many interesting chemical and physical phenomena which take place on surfaces of metaloxides rely on the material's ability to repeatedly alter the electronic surface structure. Formost metal oxides this functionality is connected to the degree of non-stoichiometry andthe presence of structural defects. LÄS MER

  3. 2. Surface and Interface Studies of ZnO using Reactive Dynamics Simulation

    Författare :David Raymand; Kersti Hermansson; Daniel Spångberg; Kai Nordlund; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; catalysis; molecular dynamics; force-fields; metal oxide; ZnO; dynamical effects on reactivity; Inorganic chemistry; Oorganisk kemi; Kemi med inriktning mot oorganisk kemi; Chemistry with specialization in Inorganic Chemistry;

    Sammanfattning : About 90% of all chemicals are produced with the help of catalysts, substances with the ability to accelerate reactions without being consumed. Metal oxides play a prominent role in catalysis, since they are able to act reversibly in many chemical processes. Zink oxide (ZnO) is used to catalyse a number of industrially important reactions. LÄS MER