Results 71 to 80 of about 69,476 (295)

van der Waals density functionals built upon the electron-gas tradition: Facing the challenge of competing interactions [PDF]

, 2014
The theoretical description of sparse matter attracts much interest, in particular for those ground-state properties that can be described by density functional theory (DFT).
Bengt I. Lundqvist, Berman R., Bohr N., Calvin A. Arter, Elsebeth Schröder, Gavrilyachenko V. G., Kristian Berland, Kyuho Lee, Lindhard J., Lundqvist B. I., Lundqvist B. I., Lundqvist B. I., Per Hyldgaard, Pines D., T. Thonhauser, Valentino R. Cooper   +15 more
core   +2 more sources

From Wafers to Electrodes: Transferring Automatic Optical Inspection (AOI) for Multiscale Characterization of Smart Battery Manufacturing

Advanced Functional Materials, EarlyView.
Automat optical inspection (AOI) techniques in semiconductor fabrication can be leveraged in battery manufacturing, enabling scalable detection and analysis of electrode‐ and cell‐level imperfections through AI‐driven analytics and a digital‐twin framework.
Jianyu Li, Ertao Hu, Wei Wei, Feifei Shi
wiley   +1 more source

Enhanced Li‐Ion Battery Performance with Hybrid MXene/GnR Electrodes: Heterojunctions and Engineered Architectures Supported by DFT Mechanistic Studies for Improved Rate Performance, Stability & Capacity

Advanced Functional Materials, EarlyView.
Lithium‐ion batteries (LIBs) remain central to energy storage but suffer from slow ion transport and degradation. Here, we present a binder‐free Ti3C2Tx MXene/GnR hybrid electrode with a porous 3D architecture formed via freeze casting. The structure enhances conductivity, ion transport, and stability, delivering 401 mAh/g, ∼97% efficiency, and 92 ...
Sara Mohseni Taromsari, Meysam Salari, Dipali Nayak, Saeed Habibpour, Ling Wei Hwang, Cristopher Carreiro, Carlos M. Da Silva, Aiping Yu, Chul B. Park, Cristina H. Amon, Hani E. Naguib   +10 more
wiley   +1 more source

Taming Convergence in the Determinant Approach for X-Ray Excitation Spectra

, 2019
A determinant formalism in combination with \emph{ab initio} calculations proposed recently has paved a new way for simulating and interpreting x-ray excitation spectra.
Liang, Yufeng, Prendergast, David
core   +1 more source

Engineering Strategies for Stable and Long‐Life Alkaline Zinc‐Based Flow Batteries

Advanced Functional Materials, EarlyView.
Alkaline zinc‐based flow batteries face persistent challenges from unstable zinc deposition, including dendrite growth, passivation, corrosion, and hydrogen evolution, which severely limit cycling stability. Current research addresses these issues through coordinated electrode structuring, electrolyte regulation, and membrane design to control zinc ...
Yuran Bai, Xiaoyu Huo, Xin Long, Enkang Fu, Xusong Gong, Lei Wei, Liang An   +6 more
wiley   +1 more source

Intercalation of Large Flake Graphite with Fuming Nitric Acid

C
In this work, the possibilities of introducing nitric acid molecules with a solution concentration of 75–98% into graphite matrices in the form of synthetic quasi-monocrystal graphite and natural graphite of four different farcical compositions were ...
Vladimir A. Shulyak, Nikolai S. Morozov, Vera S. Makhina, Kristina E. Klyukova, Alexandra V. Gracheva, Sergei N. Chebotarev, Viktor V. Avdeev   +6 more
doaj   +1 more source

Size, Shape and Low Energy Electronic Structure of Carbon Nanotubes

, 1996
A theory of the long wavelength low energy electronic structure of graphite-derived nanotubules is presented. The propagating $\pi$ electrons are described by wrapping a massless two dimensional Dirac Hamiltonian onto a curved surface. The effects of the
C. L. Kane, C. T. White, C. T. White, D. P. DiVincenzo, E. J. Mele, F. David, J. E. Fischer, J. W. Mintmire, J. W. Mintmire, L. Chico, N. Hamada, R. Saito, T. Ebbeson, X. Blase   +13 more
core   +1 more source

Single‐ and Dual‐Atom Configurations in Atomically Dispersed Catalysts for Lithium–Sulfur Batteries

Advanced Functional Materials, EarlyView.
Single‐atom and dual‐atom‐based atomically dispersed catalysts (ADCs) effectively address the shuttle effect and sluggish redox kinetics in Li–S batteries. With nearly 100% atomic utilization and tunable coordination environments, ADCs enhance LiPSs adsorption, lower conversion barriers, and accelerate sulfur redox reactions.
Haoyang Xu, Zhenfeng Li, Yue Fei, Ali Mohammadi, Ge Li   +4 more
wiley   +1 more source

Establishing a Model Precursor System: Over a Decade of Research on Carbon Dots from the Citric Acid‐Urea System

Advanced Functional Materials, EarlyView.
The citric acid/urea (CA‐Urea) precursor system offers a versatile, scalable route to carbon dots with tunable luminescence and multifunctionality. Mechanistic insights into precursor chemistry and reaction parameters have enabled doping, surface modification, and hybridization strategies, yielding CDs for luminescent devices, sensing, catalysis ...
Yupeng Liu, Zhiqi Cai, Xiangxin Sun, Hanyi Zhang, Yiming Hao, Jun Wu, Zekun Yan, Xue Wu, Yiqi Liang, Liming Wang, Songnan Qu   +10 more
wiley   +1 more source

Effects of Preparation Conditions and Ammonia/Methylamine Treatment on Structure of Graphite Intercalation Compounds with FeCl₃, CoCl₂, NiCl₂ and Derived Metal-Containing Expanded Graphite

Solids
Composites in which finely dispersed particles of the metallic phase are uniformly distributed over the surface of expanded graphite can be used as magnetic sorbents for crude oil and petroleum products, as well as a basis for creating screens that ...
Aleksandr D. Muravev, Andrei V. Ivanov, Vladimir A. Mukhanov, Sergey K. Dedushenko, Boris A. Kulnitskiy, Alexander V. Vasiliev, Natalia V. Maksimova, Victor V. Avdeev   +7 more
doaj   +1 more source