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991.
992.
Sheng Yang Antonio Gaetano Ricciardulli Dr. Shaohua Liu Dr. Renhao Dong Dr. Martin R. Lohe Alfons Becker Marco A. Squillaci Prof. Paolo Samorì Prof. Klaus Müllen Prof. Xinliang Feng 《Angewandte Chemie (International ed. in English)》2017,56(23):6669-6675
To bridge the gap between laboratory-scale studies and commercial applications, mass production of high quality graphene is essential. A scalable exfoliation strategy towards the production of graphene sheets is presented that has excellent yield (ca. 75 %, 1–3 layers), low defect density (a C/O ratio of 21.2), great solution-processability, and outstanding electronic properties (a hole mobility of 430 cm2 V−1 s−1). By applying alternating currents, dual exfoliation at both graphite electrodes enables a high production rate exceeding 20 g h−1 in laboratory tests. As a cathode material for lithium storage, graphene-wrapped LiFePO4 particles deliver a high capacity of 167 mAh g−1 at 1 C rate after 500 cycles. 相似文献
993.
994.
Mileva Prvanovi? 《Journal of Geometry》2012,103(1):89-101
We consider an almost Hermitian manifold and apply the conformal change of metric to its holomorphic curvature tensor. In such a way we find that the generalized Bochner curvature tensor can be expressed as a linear combination of B 1, B 2, and B 3 such that (6.4) holds. Each of the tensors B 1, B 2, B 3 is conformally invariant and satisfies the condition (1.2) of K?hler type. 相似文献
995.
M. D?ring U. -G. Mei?ner E. Oset A. Rusetsky 《The European Physical Journal A - Hadrons and Nuclei》2012,48(8):1-18
Phase shifts and resonance parameters can be obtained from finite-volume lattice spectra for interacting pairs of particles, moving with non-zero total momentum. We present a simple derivation of the method that is subsequently applied to obtain the ?Ц? and ??K phase shifts in the sectors with total isospin I = 0 and I = 1/2 , respectively. Considering different total momenta, one obtains extra data points for a given volume that allow for a very efficient extraction of the resonance parameters in the infinite-volume limit. Corrections due to the mixing of partial waves are provided. We expect that our results will help to optimize the strategies in lattice simulations, which aim at an accurate determination of the scattering and resonance properties. 相似文献
996.
997.
998.
Thermodynamic integration (TI) for computing marginal likelihoods is based on an inverse annealing path from the prior to the posterior distribution. In many cases, the resulting estimator suffers from high variability, which particularly stems from the prior regime. When comparing complex models with differences in a comparatively small number of parameters, intrinsic errors from sampling fluctuations may outweigh the differences in the log marginal likelihood estimates. In the present article, we propose a TI scheme that directly targets the log Bayes factor. The method is based on a modified annealing path between the posterior distributions of the two models compared, which systematically avoids the high variance prior regime. We combine this scheme with the concept of non-equilibrium TI to minimise discretisation errors from numerical integration. Results obtained on Bayesian regression models applied to standard benchmark data, and a complex hierarchical model applied to biopathway inference, demonstrate a significant reduction in estimator variance over state-of-the-art TI methods. 相似文献
999.
1000.
Dr. David Martínez-López Eduardo Santamaría-Aranda Dr. Marco Marazzi Dr. Cristina García-Iriepa Dr. Diego Sampedro 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(13):4420-4429
Donor–acceptor Stenhouse adducts (DASAs) are playing an outstanding role as innovative and versatile photoswitches. Until now, all the efforts have been spent on modifying the donor and acceptor moieties to modulate the absorption energy and improve the cyclization and reversion kinetics. However, there is a strong dependence on specific structural modifications and a lack of predictive behavior, mostly owing to the complex photoswitching mechanism. Here, by means of a combined experimental and theoretical study, the effect of chemical modification of the π-bridge linking the donor and acceptor moieties is systematically explored, revealing the significant impact on the absorption, photocyclization, and relative stability of the open form. In particular, a position along the π-bridge is found to be the most suited to redshift the absorption while preserving the cyclization. However, thermal back-reaction to the initial isomer is blocked. These effects are explained in terms of an increased acceptor capability offered by the π-bridge substituent that can be modulated. This strategy opens the path toward derivatives with infra-red absorption and a potential anchoring point for further functionalization. 相似文献