64 citations
- University of California SystemUS5 papers
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7 papers · 1 filter
Designing Bimetallic Nanoparticle Catalysts via Tailored Surface Segregation
Yaxin Tang, Mingao Hou, Qian He +1
Bimetallic nanoparticles serve as a vital class of catalysts with tunable properties suitable for diverse catalytic reactions, yet a comprehensive understanding of their structural…
Understanding Carbon Contamination in Proton Conducting Oxides
Andrew J. E. Rowberg, Michael W. Swift, Chris G. Van de Walle
Carbon contamination is a significant concern for proton-conducting oxides in the cerate and zirconate family, particularly for BaCeO. Here, we use first-principles calculation…
Large area photoelectrodes based on hybrids of CNT fibres and ALD grown TiO2
A. Moya, N. Kemnade, M. R. Osorio +4
Hybridisation is a powerful strategy towards the next generation of multifunctional materials for environmental and sustainable energy applications. Here, we report a new inorganic…
New Pressure-Induced Polymorphic Transitions of Anhydrous Magnesium Sulfate
A. Benmakhlouf, D. Errandonea, M. Bouchenafa +3
The effects of pressure on the crystal structure of the three known polymorphs of magnesium sulfate have been theoretically study by means of DFT calculations up to 45 GPa. We dete…
The role of native defects in the transport of charge and mass and the decomposition of LiBNH
Khang Hoang, Anderson Janotti, Chris G. Van de Walle
LiBNH is of great interest for hydrogen storage and for lithium-ion battery solid electrolytes because of its high hydrogen content and high lithium-ion conducti…
The role of electron-hole recombination in organic magnetoresistance
Sayani Majumdar, Himadri S Majumdar, Harri Aarnio +3
Magneto-electrical measurements were performed on diodes and bulk heterojunction solar cells (BHSCs) to clarify the role of formation of coulombically bound electron-hole (e-h) pai…