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Curvature drastically changes diffusion properties of Li and Na on graphene
Springer Science and Business Media LLC - Tập 3 Số 3 - Trang 171-175 - 2013
Yang Wei Koh, Sergei Manzhos
UV-initiated crosslinking of electrospun chitosan/poly(ethylene oxide) nanofibers doped with ZnO-nanoparticles: development of antibacterial nanofibrous hydrogel
Springer Science and Business Media LLC - Tập 10 - Trang 642-651 - 2020
G. M. Estrada-Villegas, J. I. Del Río-De Vicente, L. Argueta-Figueroa, G. González-Pérez
UV-initiated crosslinking of electrospun poly(ethylene) oxide (PEO)/chitosan (CS) nanofibers doped with zinc oxide nanoparticles (ZnO-NPs) was performed using pentaerythritol triaclyrate (PETA) as the photoinitiator and crosslinker agent. The influence of the addition of PETA to the PEO/CS diameter and crosslinking of nanofibers was evaluated. The effect of irradiation time on the morphology and s...... hiện toàn bộ
G-code Net: Learning-based rational design and optimization for additively manufactured structures
Springer Science and Business Media LLC - - 2024
Xinxin Wu, Tianju Xue, Sheng Mao
In this work, we propose an integrated approach for the rational design of 3D-printed parts using machine learning. A Long Short-Term Memory (LSTM) neural network (G-code Net) was used to construct the functional relationship between the G-code and the mechanical properties of the 3D-printed part. Results show that a well-trained G-code Net can make accurate predictions of the mechanical responses...... hiện toàn bộ
Influence of doped metal center on morphology and pore structure of ZIF-8
Springer Science and Business Media LLC - Tập 9 - Trang 288-291 - 2019
Ahmed Awadallah-F, Febrian Hillman, Shaheen A. Al-Muhtaseb, Hae-Kwon Jeong
Synthesis of ZIF with zinc, cobalt, or copper was carried out by microwaves. The effect of metal center on morphologies and pores of products was studied. Nitrogen adsorption/desorption onto ZIFs was examined by density functional theory. The micro, meso, and macropores of ZIF-8, Zn/Co-ZIF-8, and Cu/ZIF-8 ranged 99.814–99.969%, 0.055–0%, and 0.031–0.130%, respectively. Average pore sizes of ZIF-8,...... hiện toàn bộ
Machine learning prediction of accurate atomization energies of organic molecules from low-fidelity quantum chemical calculations
Springer Science and Business Media LLC - Tập 9 - Trang 891-899 - 2019
Logan Ward, Ben Blaiszik, Ian Foster, Rajeev S. Assary, Badri Narayanan, Larry Curtiss
Recent studies illustrate how machine learning (ML) can be used to bypass a core challenge of molecular modeling: the trade-off between accuracy and computational cost. Here, we assess multiple ML approaches for predicting the atomization energy of organic molecules. Our resulting models learn the difference between low-fidelity, B3LYP, and high-accuracy, G4MP2, atomization energies and predict th...... hiện toàn bộ
Erratum to: Computational design of new organics dyes with improved solar absorbance for dye-sensitized solar cells–ERRATUM
Springer Science and Business Media LLC - - 2013
Sergei Manzhos
Electronic structure of β-NiOOH with hydrogen vacancies and implications for energy conversion applications
Springer Science and Business Media LLC - Tập 7 Số 2 - Trang 206-213 - 2017
Vicky Fidelsky, David Furman, Yuri Khodorkovsky, Yuval Elbaz, Yehuda Zeiri, Maytal Caspary Toroker
Solution-based synthesis of carbon-hematite composite thin films for high-performance supercapacitor applications
Springer Science and Business Media LLC - Tập 6 - Trang 367-374 - 2016
Jinzhan Su, Shangpu Liu, Jian Wang, Cong Liu, Yufeng Li, Dongyang Wu
Supercapacitor has received intense interest due to its high-charge/discharge rate and high-power density. C/Fe2O3 layer with different C/Fe ratios were synthesized by a solution-based approach for supercapacitor application. The influence of synthesis conditions on their electrochemical performances was investigated. Cobalt was added into C/Fe2O3 and significant improved its performance. The opti...... hiện toàn bộ
Anomalous characteristics of pore formation in Graphene induced by Si-nanoparticle bombardment
Springer Science and Business Media LLC - - 2017
Jae Hyun Park, Ramki Murugesan, Jaekwang Lee, N. R. Aluru
Synthesis and characterization of the graft copolymer PTFE-g-HEMA using gamma rays for the load and delivery of ciprofloxacin
Springer Science and Business Media LLC -
Benito E. Ramírez-Flores, Emilio Bucio
AbstractThe aim of this study was to develop a drug delivery copolymer. Hydroxyethyl methacrylate (HEMA) was grafted onto poly(tetrafluoroethylene) films using gamma rays as the initiator agent. The optimal conditions for the grafting procedure were determined through a series of experiments, considering the following factors: reaction time, temperature, HEMA conce...... hiện toàn bộ
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