Results 111 to 120 of about 655,640 (396)

Hydrogel‐Based Photothermal‐Catalytic Membrane for Efficient Cogeneration of Freshwater and Hydrogen in Membrane Distillation System

Advanced Functional Materials, EarlyView.
This work presents an overview of the PTC‐VMD system for water‐hydrogen co‐generation. a) Illustration of the hydrogel‐based PTC membrane and the co‐generation of water and hydrogen. b) Structure of the PTC‐VMD system and the functions of each component layer.
Jiawei Sun, Muhammad Usman Farid, Wenlong Xi, Gang Lu, Min Wei Boey, Sai Kishore Ravi, Patrick H.‐L. Sit, Alicia Kyoungjin An   +7 more
wiley   +1 more source

Sensor application of doped C60 fullerenes in detection of 1-(3-trifluoromethylphenyl)piperazine as an alternative to ecstasy

Main Group Metal Chemistry, 2019
1-(3-trifluoromethylphenyl)piperazine (TFMPP) is one of the commonly abused drugs in the illicit drug market. Its detection or identification is important to investigate. In this work, density function theory (DFT) approach was used to analyse silicon or
Özkan Ertuğrul, Bilge Metin, Bilge Duygu, Alver Özgür, Parlak Cemal, Şenyel Mustafa, Ramasami Ponnadurai   +6 more
doaj   +1 more source

Linking entanglement and quantum phase transitions via density functional theory

, 2007
Density functional theory (DFT) is shown to provide a novel conceptual and computational framework for entanglement in interacting many-body quantum systems.
D. A. Lidar, H. Hellmann, L. J. Sham, L.-A. Wu, M. S. Sarandy, P. Ring, S. Sachdev, W. Kohn   +7 more
core   +1 more source

Designing Metastable P3‐type Layered Negative Electrodes with High Na Vacancy Concentration for High‐Power Sodium‐Ion Batteries

Advanced Functional Materials, EarlyView.
A metastable high‐vacancy concentration layered P3‐type Na0.5Cr0.5Ti0.5O2 negative electrode material has been synthesized from its K analogues P3‐type K0.5Cr0.5Ti0.5O2 using a facile room temperature ion‐exchange method. The P3‐type Na0.5Cr0.5Ti0.5O2 demonstrates a gravimetric capacity of 125 mA h g−1 and high‐rate performance (80% charging in 3 min ...
Alok K. Pandey, Benoît D.L. Campéon, Saad Zafar, Toru Ishigaki, Tsubasa Koyama, Masanobu Nakayama, Naoaki Yabuuchi   +6 more
wiley   +1 more source

Fatal injuries to car occupants: analysis of health and population data [PDF]

, 2007
Although this report was commissioned by the Department for Transport (DfT), the findings and recommendations are those of the authors and do not necessarily represent the views of the DfT. While the DfT has made every effort to ensure the information in
Christie, N, Lyons, R, Macey, S, Thoreau, R, Ward, H   +4 more
core  

Toward ab initio density functional theory for nuclei [PDF]

, 2009
We survey approaches to nonrelativistic density functional theory (DFT) for nuclei using progress toward ab initio DFT for Coulomb systems as a guide.
Abrikosov, Akmal, Argaman, Baerends, Banks, Barnea, Bartlett, Bartlett, Bartlett, Bartlett, Becker, Bender, Bender, Bender, Bertolli, Bertsch, Bertsch, Bertsch, Bes, Bhattacharyya, Bhattacharyya, Blaizot, Bogner, Bogner, Bogner, Bogner, Bogner, Bogner, Bogner, Bogner, Borycki, Brink, Brown, Bulgac, Bulgac, Bulgac, Bulgac, Bulgac, Bulgac, Carlsson, Casida, Chappert, Collins, Day, Day, Della Sala, Dickhoff, Dobaczewski, Dobaczewski, Dobaczewski, Dreizler, Duflo, Duguet, Duguet, Durand, Engel, Entem, Epelbaum, Epelbaum, Eschrig, Fetter, Finelli, Finelli, Fritsch, Fukuda, Fukuda, Furnstahl, Furnstahl, Furnstahl, Furnstahl, Furnstahl, Furnstahl, Furnstahl, Giraud, Giraud, Giraud, Glazek, Goriely, Gritsenko, Gusynin, Görling, Görling, Görling, Görling, Hagen, Hagen, Hagen, Hammer, Head-Gordon, Hergert, Hesselmann, Hirose, Hofmann, Hohenberg, Hu, J.E. Drut, Kaiser, Kaiser, Kaiser, Kaiser, Knecht, Koch, Kohanoff, Kohn, Kortelainen, Krieger, Kurth, Kurth, Kutzelnigg, Kümmel, Kümmel, L. Platter, Lacroix, Lejeune, Lenske, Lenske, Lesinski, Levy, Lieb, Litvinova, Luttinger, Lutz, Martin, McIntire, Miransky, Miransky, Nagaosa, Navratil, Negele, Negele, Negele, Niksic, Nogga, Okumura, Oliveira, Papenbrock, Parr, Perdew, Perdew, Perdew, Perdew, Perdew, Perlinska, Peskin, Pieper, Pieper, Polonyi, Puglia, R.J. Furnstahl, Rajaraman, Rajaraman, Rasamny, Ring, Ring, Roth, Roth, Roth, Roth, Serot, Serra, Sham, Sham, Sheikh, Staroverov, Stoitsov, Stoitsov, Stone, Stringari, Tian, Tian, Toivanen, Valiev, van Kolck, Verschelde, Verschelde, Vretenar, Vretenar, Wegner, Weinberg, Wiringa, Yokojima, Yu, Zalewski, Zinn-Justin   +183 more
core   +4 more sources

Concurrent Interface Passivation and Contact Work Function Tuning in Organic Self‐Aligned Gate Transistors and Complementary Circuits Using Phosphonic Acid Self‐Assembled Monolayers

Advanced Functional Materials, EarlyView.
Self‐aligned gate transistors are developed with a single‐step dielectric passivation and fine‐tuning of source/drain electrode work function using phosphonic acid self‐assembled monolayers (SAM). This transistor architecture minimizes overlap capacitances and access resistance.
Linqu Luo, Mohamad Insan Nugraha, Hendrik Faber, Shaoxian Li, Chrysa Aivalioti, Bahaaeddin Irziqat, Ricardo Ruvalcaba, Temur Maksudov, Yu‐ying Yang, Harold F. MazoMantilla, Lazaros Panagiotidis, Mohamed Nejib Hedhili, Furkan H. Isikgor, Leonidas Tsetseris, Shadi Fatayer, Martin Heeney, Thomas D. Anthopoulos   +16 more
wiley   +1 more source

Testing Predictions from Density Functional Theory at Finite Temperatures: $\beta_2$-Like Ground States in Co-Pt

, 2015
We perform a critical assessment of the accuracy of DFT-based methods in predicting stable phases within the Co-Pt binary alloy. Statistical mechanical analysis applied to zero kelvin DFT predictions yields finite-temperature results that can be directly
Decolvenaere, Elizabeth, Gordon, Michael J., Van der Ven, Anton   +2 more
core   +1 more source

Selective Reduction Laser Sintering: A New Strategy for NO2 Gas Detection Based on In2O3 Nanoparticles

Advanced Functional Materials, EarlyView.
This research utilizes selective reduction laser sintering (SRLS) to engineer In2O3 NPs for flexible NO2 sensors. The introduction of oxygen vacancy defects enhances sensor performance, offering excellent responsiveness, rapid response/recovery, superior selectivity, low detection limit, and long‐term stability.
Shaogang Wang, Chunjian Tan, Qihang Zong, Shizhen Li, Chenshan Gao, Huiru Yang, Qianming Huang, Paddy French, Huaiyu Ye   +8 more
wiley   +1 more source

Analyzing Electronic Excitations and Exciton Binding Energies in Y6 Films

Advanced Functional Materials, EarlyView.
The Y6 molecule is used for increasing the efficiency of organic solar cells. The exciton binding energy is calculated for ensembles of Y6 molecules that are representative of the typically used films. The calculations show that the excitons typically spread out over many molecules.
Sahar Javaid Akram, Sophie Meißner, Stephan Kümmel   +2 more
wiley   +1 more source