Results 321 to 330 of about 8,251,356 (397)

Development of a Method for Local Electron Temperature and Density Measurements in the Divertor of the JET Tokamak

, 2004
C Jupén, A. Meigs, A. K. Bhatia, S. Brezinsek, M. O’Mullane   +4 more
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Regulating local electron density of iron single site by nitrogen vacancy for efficient photo-Fenton process.

Angewandte Chemie, 2021
The activity of heterogeneous photocatalytic H2O2 activation in Fenton-like process is closely related to the local electron density of reaction centre atoms.
Lina Su, Pengfei Wang, Xiaoli Ma, Junhui Wang, Sihui Zhan   +4 more
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Constructing Electron lever in Perovskite Nanocrystal to Regulate Local Electron Density for Intensive Chemodynamic Therapy.

Angewandte Chemie, 2021
Local electron density of atom is one key factor that determines its chemical properties. Regulating electron density can promote atom's reactivity and so reduce reaction activation energy, which is highly desired in vast chemical applications.
Peiran Zhao, Yaqin Jiang, Zhongmin Tang, Yanli Li, Bingxia Sun, Yelin Wu, Jiyue Wu, Yanyan Liu, Wenbo Bu   +8 more
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Ultrathinning Nickel Sulfide with Modulated Electron Density for Efficient Water Splitting

Advanced Energy Materials, 2020
Developing nonprecious electrocatalysts via a cost‐effective methods to synergistically achieve high active sites exposure and optimized intrinsic activity remains a grand challenge.
Ben Fei, Ziliang Chen, Jiexian Liu, Hongbin Xu, Xiaoxia Yan, Huilin Qing, Mao Chen, R. Wu   +7 more
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Low-density electron liquid

Physical Review B, 1990
We present an exchange-antisymmetric calculation of the particle-hole interaction in the low-density electron liquid. Long-range screening of the Coulomb interaction is incorporated in a self-consistent manner, and we discuss the general method of incorporating screening, both long range and short range, within this framework.
, Ainsworth, , Green, , Pines
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Pushing the frontiers of density functionals by solving the fractional electron problem

Science, 2021
Description Improving DFT with deep learning In the past 30 years, density functional theory (DFT) has emerged as the most widely used electronic structure method to predict the properties of various systems in chemistry, biology, and materials science ...
J. Kirkpatrick, Brendan McMorrow, David H. P. Turban, Alexander L. Gaunt, J. Spencer, Alexander Matthews, A. Obika, L. Thiry, Meire Fortunato, D. Pfau, Lara Román Castellanos, Stig Petersen, A. W. R. Nelson, Pushmeet Kohli, P. Mori-Sánchez, D. Hassabis, A. Cohen   +16 more
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Electron Density Analysis

2013
The representation of matter at an atomic or a subatomic level has been a permanent concern since antiquity. Such a description is necessary to understand the structure and properties of chemical systems. For a long time, it relied on speculations rather than on experimental facts.
B Silvi, R J Gillespie, C Gatti
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From molecular electron density to electron momentum density

Physical Review A, 1984
The scope of the quasiclassical procedure previously used by us for estimating atomic-electron momentum densities exclusively from the knowledge of electron densities has been extended to diatomic molecules. This procedure yields spherically averaged molecular-electron momentum density from which the corresponding Compton profile and expectation values
Rajeev K. Pathak, Shridhar P. Gejji, Shridhar R. Gadre   +2 more
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Efficient Defect Passivation for Perovskite Solar Cells by Controlling the Electron Density Distribution of Donor‐π‐Acceptor Molecules

Advanced Energy Materials, 2019
Organic–inorganic hybrid perovskite solar cells (PSCs) are a promising photovoltaic technology that has rapidly developed in recent years. Nevertheless, a large number of ionic defects within perovskite absorber can serve as non‐radiative recombination ...
Tianhao Wu, Yanbo Wang, Xing Li, Yongzhen Wu, Xiangyue Meng, Danyu Cui, Xudong Yang, Liyuan Han   +7 more
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