Search Results - "Deak, Peter"

Calculating the optical properties of defects and surfaces in wide band gap materials by Deák, Peter

“…The optical properties of a material critically depend on its defects, and understanding that requires substantial and accurate input from theory. This paper…”
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Band Lineup and Charge Carrier Separation in Mixed Rutile-Anatase Systems by Deák, Peter, Aradi, Bálint, Frauenheim, Thomas

“…Calculations by the HSE06 functional for rutile and anatase crystals reproduce the observed width of the valence and conduction bands, as well as of the gap…”
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Activity and Mechanism Mapping of Photocatalytic NO2 Conversion on the Anatase TiO2(101) Surface by Guo, Pu, Fu, Xiaoyan, Deák, Peter, Frauenheim, Thomas, Xiao, Jianping

“…NO x emission heavily affects our environment and human health. Photocatalytic denitrification (deNO x ) attracted much attention because it is low-cost and…”
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Predictive Theoretical Model for the Selective Electroreduction of Nitrate to Ammonia by Mou, Tong, Wang, Yuting, Deák, Peter, Li, Huan, Long, Jun, Fu, Xiaoyan, Zhang, Bin, Frauenheim, Thomas, Xiao, Jianping

“…The electrochemical reduction of nitrate (eNO3RR) emerges as a promising route for decentralized ammonia synthesis. However, the competitive production of…”
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Fundamental Limit of Selectivity in Photocatalytic Denitrification over Titania by Guo, Pu, Deák, Peter, Fu, Xiaoyan, Frauenheim, Thomas, Xiao, Jianping

“…Although photocatalytic decomposition of NO (deNO) into N2 and O2 is low-cost and non-polluting, it has a low NO conversion efficiency. Establishing the…”
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Possibilities and Limits of Decreasing the Gap of Anatase TiO2 by Alloying with Nitrogen by Gupta, Verena Kristin, Lorke, Michael, Frauenheim, Thomas, Deák, Peter

“…Nitrogen doping has been suggested to increase the photocatalytic activity of titanium dioxide in the visible. For this purpose, narrowing of the mobility gap…”
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Theory of spin-conserving excitation of the N-V(-) center in diamond by Gali, Adam, Janzén, Erik, Deák, Péter, Kresse, Georg, Kaxiras, Efthimios

“…The negatively charged nitrogen-vacancy defect in diamond is an important atomic-scale structure that can be used as a qubit in quantum computing and as a…”
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Water splitting and the band edge positions of TiO2 by Deák, Peter, Kullgren, Jolla, Aradi, Bálint, Frauenheim, Thomas, Kavan, Ladislaw

“…The possibility of splitting water by UV-light on a TiO2 electrode has created great interest in the material, however, it has been later questioned whether…”
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Resolving the Controversy about the Band Alignment between Rutile and Anatase: The Role of OH–/H+ Adsorption by Kullgren, Jolla, Aradi, Bálint, Frauenheim, Thomas, Kavan, Ladislav, Deák, Peter

“…The synergic effect of mixing rutile (R) and anatase (A) crystals in photocatalysis is often attributed to a staggered alignment of the band structures, but it…”
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Self-Consistent Potential Correction for Charged Periodic Systems by Chagas da Silva, Mauricio, Lorke, Michael, Aradi, Bálint, Farzalipour Tabriz, Meisam, Frauenheim, Thomas, Rubio, Angel, Rocca, Dario, Deák, Peter

“…Supercell models are often used to calculate the electronic structure of local deviations from the ideal periodicity in the bulk or on the surface of a crystal…”
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The ubiquitin thioesterase YOD1 ameliorates mutant Huntingtin induced pathology in Drosophila by Farkas, Anita, Zsindely, Nóra, Nagy, Gábor, Kovács, Levente, Deák, Péter, Bodai, László

“…Huntington’s disease (HD) is a neurodegenerative disorder caused by a dominant gain-of-function mutation in the huntingtin gene, resulting in an elongated…”
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Usp14 is required for spermatogenesis and ubiquitin stress responses in Drosophila melanogaster by Kovács, Levente, Nagy, Ágota, Pál, Margit, Deák, Peter

“…Deubiquitylating (DUB) enzymes free covalently linked ubiquitin moieties from ubiquitin-ubiquitin and ubiquitin-protein conjugates, and thereby maintain the…”
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SLABCC: Total energy correction code for charged periodic slab models by Farzalipour Tabriz, Meisam, Aradi, Bálint, Frauenheim, Thomas, Deák, Peter

“…The surface of solids or their interface with the gas phase is often modeled by a slab, periodic in two dimensions and repeated artificially in the third. When…”
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Electron paramagnetic resonance and theoretical study of gallium vacancy in β-Ga2O3 by Son, Nguyen Tien, Ho, Quoc Duy, Goto, Ken, Abe, Hiroshi, Ohshima, Takeshi, Monemar, Bo, Kumagai, Yoshinao, Frauenheim, Thomas, Deák, Peter

“…Unintentionally doped n-type β-Ga2O3 becomes highly resistive after annealing at high temperatures in oxygen ambient. The annealing process also induces an…”
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Identification of the Nitrogen Interstitial as Origin of the 3.1 eV Photoluminescence Band in Hexagonal Boron Nitride by Khorasani, Elham, Frauenheim, Thomas, Aradi, Bálint, Deák, Peter

“…Nitrogen interstitials (Ni) have the lowest formation energy among intrinsic defects of hexagonal boron nitride (hBN) under n‐type and N‐rich conditions. Using…”
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An L-band emitter with quantum memory in silicon by Udvarhelyi, Péter, Pershin, Anton, Deák, Péter, Gali, Adam

“…Fluorescent centres in silicon have recently attracted great interest, owing to their remarkable properties for quantum technology. Here, we demonstrate that…”
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Loss of ubiquitinated protein autophagy is compensated by persistent cnc/NFE2L2/Nrf2 antioxidant responses by Bhattacharjee, Arindam, Ürmösi, Adél, Jipa, András, Kovács, Levente, Deák, Péter, Szabó, Áron, Juhász, Gábor

“…SQSTM1/p62-type selective macroautophagy/autophagy receptors cross-link poly-ubiquitinated cargo and autophagosomal LC3/Atg8 proteins to deliver them for…”
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All-Epitaxial Self-Assembly of Silicon Color Centers Confined Within Sub-Nanometer Thin Layers Using Ultra-Low Temperature Epitaxy by Aberl, Johannes, Navarrete, Enrique Prado, Karaman, Merve, Enriquez, Diego Haya, Wilflingseder, Christoph, Salomon, Andreas, Primetzhofer, Daniel, Schubert, Markus Andreas, Capellini, Giovanni, Fromherz, Thomas, Deák, Peter, Udvarhelyi, Péter, Song, Li, Gali, Ádám, Brehm, Moritz

“…Silicon-based color-centers (SiCCs) have recently emerged as quantum-light sources that can be combined with telecom-range Si Photonics platforms…”
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Covalent Heterbivalent Inhibitors for Food Allergies by Deak, Peter E., Mr, Bilgicer, Basar, Dr

“…By presenting relevant IgE binding peptides taken from the primary sequence of the major peanut allergens and presenting them on a liposomal surface, we can…”
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Nanoallergen platform for detection of platin drug allergies by Deak, Peter E., Kim, Baksun, Adnan, Ather, Labella, Marina, De las Vecillas, Leticia, Castells, Mariana, Bilgicer, Basar

“…[...]a lipid tail was added by addition of a palmitic acid tail to form the peptide-lipid. Nanoallergens synthesized with 5% oxaliplatin-lipid were termed…”
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