ZnO is one of the most popular materials for light-matter interaction applications, including photocatalysis. One of the main advantages of ZnO for such applications is that it possesses a wide band gap which is direct, located at the Γ point of the Brillouin zone. Surface alloying allows for tailoring carrier concentration at the surface level by modifying adsorption energies and activation energies for catalysis while preserving the superb electronic structure of the bulk material. Even further, surface alloying can alter the workfunction of the material and allow for it to be tuned for specific photocatalytic applications. First-principles electronic structure calculations are presented for Mn-doped ZnO with various alloying concentratio...
We employ hybrid density functional calculations to analyze the structure and stability of the (101¯...
The electronic structure of Mn/ZnO system has been invesigated by synchrotron radiation photoemissio...
Transition metal oxides play important roles as contact and electrode materials, but their use as ac...
Narrowing of the electronic bandgap of ZnO by doping with cadmium opens up further potential uses of...
Doping of zinc oxide (ZnO) with manganese (Mn) tunes midbandgap states of ZnO to enhance its optical...
ZnO deposited on nanoporous Au showed photocatalytic decomposition toward methyl orange under visibl...
The Mn/ZnO(0001) system was investigated by synchrotron radiation photoemission. The Mn/ZnO interfac...
Zinc blende (ZB) ZnO has gained increasing research interest due to its favorable properties and its...
© 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.Zinc oxide (ZnO) is a widely utilized, versatile m...
The structural stability, electronic structure, and optical properties of an iron-adsorbed ZnO (0001...
The calculation of the accurate surface energies for (0001) surfaces of wurtzite ZnO is difficult be...
The successful use of nanoparticulate ZnO in applications such as UV-screening agents or photocataly...
The successful use of nanoparticulate ZnO in applications such as UV-screening agents or photocataly...
A first principles density function investigation of the structural, electrical and optical properti...
Great effort has been made to solve environmental and energy issues by developing photocatalytic pro...
We employ hybrid density functional calculations to analyze the structure and stability of the (101¯...
The electronic structure of Mn/ZnO system has been invesigated by synchrotron radiation photoemissio...
Transition metal oxides play important roles as contact and electrode materials, but their use as ac...
Narrowing of the electronic bandgap of ZnO by doping with cadmium opens up further potential uses of...
Doping of zinc oxide (ZnO) with manganese (Mn) tunes midbandgap states of ZnO to enhance its optical...
ZnO deposited on nanoporous Au showed photocatalytic decomposition toward methyl orange under visibl...
The Mn/ZnO(0001) system was investigated by synchrotron radiation photoemission. The Mn/ZnO interfac...
Zinc blende (ZB) ZnO has gained increasing research interest due to its favorable properties and its...
© 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.Zinc oxide (ZnO) is a widely utilized, versatile m...
The structural stability, electronic structure, and optical properties of an iron-adsorbed ZnO (0001...
The calculation of the accurate surface energies for (0001) surfaces of wurtzite ZnO is difficult be...
The successful use of nanoparticulate ZnO in applications such as UV-screening agents or photocataly...
The successful use of nanoparticulate ZnO in applications such as UV-screening agents or photocataly...
A first principles density function investigation of the structural, electrical and optical properti...
Great effort has been made to solve environmental and energy issues by developing photocatalytic pro...
We employ hybrid density functional calculations to analyze the structure and stability of the (101¯...
The electronic structure of Mn/ZnO system has been invesigated by synchrotron radiation photoemissio...
Transition metal oxides play important roles as contact and electrode materials, but their use as ac...