Results 71 to 80 of about 21,114 (257)

Understanding and Optimizing Li Substitution in P2‐Type Sodium Layered Oxides for Sodium‐Ion Batteries

Advanced Functional Materials, EarlyView.
This work explores Li‐substituted P2 layered oxides for Na‐ion batteries by crystallographic and electrochemical studies. The effect of lithium on superstructure orderings, on phase transitions during synthesis and electrochemical cycling and on the interplay of O‐ versus TM‐redox is revealed via various advanced techniques, including semi‐simultaneous 
Mingfeng Xu, Giovanni Gammaitoni, Michael Häfner, Eduardo Villalobos‐Portillo, Carlo Marini, Matteo Bianchini   +5 more
wiley   +1 more source

DeepEMs-25: a deep-learning potential to decipher kinetic tug-of-war dictating thermal stability in energetic materials

npj Computational Materials
Atomic-scale insight into decompositions in energetic materials (EMs) is essential for harnessing energy release, which remains elusive due to both instrumental and computational limitations.
Ming-Yu Guo, Yun-Fan Yan, Pin Chen, Wei-Xiong Zhang   +3 more
doaj   +1 more source

Efficient Orthogonal Tensor Decomposition, with an Application to Latent Variable Model Learning

, 2013
Decomposing tensors into orthogonal factors is a well-known task in statistics, machine learning, and signal processing. We study orthogonal outer product decompositions where the factors in the summands in the decomposition are required to be orthogonal
Király, Franz J.
core  

Atomic decomposition of generalized Lipschitz spaces

Illinois Journal of Mathematics, 1989
For an interval I with halves L and R, a special atom looks like \(b(t)=[\chi _ L(t)-\chi _ R(t)]/w(I)\). The special atom spaces are formed by \(\ell ^ 1\) linear combinations of these atoms. We consider spaces B(\(\rho)\), where the scaling factor w(I) depends only on the length of I, \(w(I)=\rho (| I|)\), and \(B_ w\), where w(I) depends on I.
Bloom, Steven, De Souza, Geraldo Soares
openaire   +3 more sources

Enhancing Low‐Temperature Performance of Sodium‐Ion Batteries via Anion‐Solvent Interactions

Advanced Functional Materials, EarlyView.
DOL is introduced into electrolytes as a co‐solvent, increasing slat solubility, ion conductivity, and the de‐solvent process, and forming an anion‐rich solvent shell due to its high interaction with anion. With the above virtues, the batteries using this electrolyte exhibit excellent cycling stability at low temperatures. Abstract Sodium‐ion batteries
Cheng Zheng, Qian Yao, Yanan Sun, Hongyu Lv, Zhongchao Bai, Guoliang Zhang, Nana Wang, Jian Yang   +7 more
wiley   +1 more source

Nonparametric inference of higher order interaction patterns in networks

Communications Physics
Local interaction patterns play an important role in the structural and functional organization of complex networks. Here we propose a method for obtaining parsimonious decompositions of networks into higher order interactions which can take the form of ...
Anatol E. Wegner, Sofia C. Olhede
doaj   +1 more source

Near‐Infrared Emitting Lanthanide Catecholate Giant Single Crystals – Morphology Control and Photon Down‐Conversion

Advanced Functional Materials, EarlyView.
Controlled syntheses of lanthanide coordination polymers based on the dihydroxybenzoquinone (DHBQ) organic linker afforded large single crystals of Ln‐DHBQ CPs (Ln = Yb, Nd). A novel structural variant of Yb‐DHBQ is identified by means of single crystal diffraction analysis.
Marina I. Schönherr, Alexander Biewald, Andre Mähringer, Thaddäus J. Koller, Peter Mayer, Markus Döblinger, Achim Hartschuh, Dana D. Medina   +7 more
wiley   +1 more source

Atomic Decompositions of Periodic Electronic-Structure Simulations

The Journal of Physical Chemistry A
We present a new theory for partitioning simulations of periodic and solid-state systems into physically sound atomic contributions at the level of Kohn-Sham density functional theory. Our theory is based on spatially localized linear combinations of crystalline Gaussian-type orbitals and, as such, capable of exposing local features within periodic ...
Luna Zamok, Janus J. Eriksen
openaire   +3 more sources

Biomass Native Structure Into Functional Carbon‐Based Catalysts for Fenton‐Like Reactions

Advanced Functional Materials, EarlyView.
This study indicates that eight biomasses with 2D flaky and 1D acicular structures influence surface O types, morphology, defects, N doping, sp2 C, and Co nanoparticles loading in three series of carbon, N‐doped carbon, and cobalt/graphitic carbon. This work identifies how these structural factors impact catalytic pathways, enhancing selective electron
Wenjie Tian, Jingkai Lin, Zhihao Tian, Selusiwe Ncube, Huayang Zhang, Emiliano Cortés, Hongqi Sun, Shaobin Wang   +7 more
wiley   +1 more source

Theoretical assessment of discharge effects on the decomposition tendency of C6F12O over metallic surfaces

High Voltage
C6F12O is proposed to be one potential eco‐friendly insulation gas to replace SF6. However, the assessment of its decomposition properties and the compatibility with metal electrodes in discharge faults is still challenging, which greatly hinders the ...
Zhaolun Cui, Yanpeng Hao, Shuangshuang Tian, Xiaoxing Zhang, Yashuang Zheng   +4 more
doaj   +1 more source