S. E. Hubera, M. Hellström, M. Probst, K. Hermansson, P. Broqvist, Surf. Sci. 628, 50 (2014).
Publications Archive
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Surface defects and their impact on the electronic structure of Mo-doped CaO films: an STM and DFT study
Y. Cui, X. Shao, S. Prada, L. Giordano, G. Pacchioni, H.-J. Freund and N. Nilius, Phys. Chem. Chem. Phys. 16, 12764 (2014).
Grain Boundary Controlled Electron Mobility in Polycrystalline Titanium Dioxide
S. K. Wallace and K. P. McKenna, Adv. Mater. Interfaces 1, 1400078 (2014).
Occupation matrix control of d- and f-electron localisations using DFT + U
J. P. Allen and G. W. Watson, Phys. Chem. Chem. Phys. 16, 21016 (2014).
Designing a new generation of catalysts: Water gas shift reaction example
J. Graciani, J. Fdez. Sanz, Catal. Today 240, 214 (2014).
Periodic DFT+ D Molecular Modeling of the Zn-MOF-5 (100)/(110) TiO2 Interface: Electronic Structure, Chemical Bonding, Adhesion and Strain
F. Zasada, W. Piskorz, J. Gryboś, and Z. Sojka, J. Phys. Chem. C 118, 8971 (2014).
A first principles investigation of Bi2O3-modified TiO2 for visible light Activated photocatalysis: The role of TiO2 crystal form and the Bi3+ stereochemical lone pair
A. Lucid, A. Iwaszuk, M. Nolan, Mat. Sci. Semicon. Proc. 25, 59 (2014).
A Quantitative Structural Investigation of the 0.1 wt% Nb-SrTiO3 (001) / H2O Interface
H. Hussain, X. Torrelles, P. Rajput, M. Nicotra, G. Thornton, and J. Zegenhagen, J. Phys. Chem. C 118, 10980 (2014).
Oxygen Vacancies versus Fluorine at CeO2(111) A Case of Mistaken Identity?
J. Kullgren, M. J. Wolf, C.W. M. Castleton, P. Mitev, W. Briels, and K. Hermansson, Phys. Rev. Lett. 112, 156102 (2014).
Photoelectrochemical Biosensing Approach for Alcohol Determination by “Wiring” of Alcohol Oxidase Photonically with P(SNS-NH2)/AOx/CNT/[Ru(bpy)3]2+ Modified Electrodes
H. B. Yildiz, M. Kamaci, M. Karaman, L. Toppare, and S. Sayin, J. Macromol. Sci. Pure 51, 385 (2014).
