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Nature materials, ISSN 1476-4660, 2012, Volume 12, Issue 1, pp. 29 - 33
Journal Article
The Journal of chemical physics, ISSN 0021-9606, 2010, Volume 132, Issue 15, pp. 154301 - 154301-11
Journal Article
Science (American Association for the Advancement of Science), ISSN 1095-9203, 2014, Volume 344, Issue 6183, pp. 504 - 507
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 11/2017, Volume 19, Issue 43, pp. 29244 - 29254
The adsorption and dissociation of O 2 on MoO 2 (1&cmb.macr;11) surfaces were studied by density functional theory (DFT... 
Orbitals | Adsorption | Molybdenum oxides | Surface chemistry | Conductors | Density functional theory | Energy of dissociation
Journal Article
Journal Article
Acta Materialia, ISSN 1359-6454, 03/2018, Volume 146, pp. 265 - 272
... + a> slip systems and improve the plasticity of Mg at room temperature. However, the origins of such dislocations and their dissociation mechanisms remain poorly understood... 
Dislocation dissociation | Density-functional theory | Generalized stacking fault energy | Magnesium alloy | Slip systems | CORE STRUCTURES | SLIP | MATERIALS SCIENCE, MULTIDISCIPLINARY | METALLURGY & METALLURGICAL ENGINEERING | SCREW DISLOCATIONS | DEFORMATION | MAGNESIUM | STACKING-FAULT | 1ST-PRINCIPLES | EDGE | PLUS
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2017, Volume 19, Issue 2, pp. 1466 - 1486
A comprehensive search for stable structures in the low coverage regime (0-1 ML) and at 2 ML and 3 ML using DFT revealed several new aggregation states of... 
Water chemistry | Molecular structure | Adsorption | Hydrogen bonds | Monolayers | Surface chemistry | Agglomeration | Energy of dissociation
Journal Article
Applied Catalysis B: Environmental, ISSN 0926-3373, 12/2017, Volume 218, pp. 199 - 207
Journal Article