Results 81 to 90 of about 91,895 (265)
Predicting Atomic Charges in MOFs by Topological Charge Equilibration
Advanced Functional Materials, EarlyView.An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi +2 more
wiley +1 more source
On Hermitian generalized inverses and positive semidefinite generalized inverses
Indian Journal of Pure and Applied Mathematics, 2014 Necessary and sufficient conditions in order to state when some generalized inverses are hermitian and when they are positive (semi-)definite matrices are obtained. The expressions for such generalized inverses are also provided.
openaire +1 more source
Advanced Functional Materials, EarlyView.It is elucidated that phase engineering of cobalt modulates the interfacial potential gradients of cobalt–carbon electrocatalysts, enhancing the intrinsic electrocatalytic performance. Modulating the dominant crystalline phase of cobalt from a hexagonal close‐packed to a face‐centered cubic enriches the electron density of carbon shells, thereby ...
Ji‐Oh Kim +13 more
wiley +1 more source
Advanced Functional Materials, EarlyView.Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley +1 more source
IEEE Access, 2019 Let G be a connected graph. The subdivision graph S(G) of a graph (G) is the graph obtained by inserting a new vertex into every edge of G. The set of such new vertices is denoted by I(G).
Qun Liu
doaj +1 more source
Advanced Functional Materials, EarlyView.This work provides a novel interpretation of the nitrate reduction mechanism on iron oxides (FeOx) by employing constant‐potential density functional calculations and reports the design and synthesis of a robust and high‐performance Fe3O4/Fe‐N4‐C catalyst with remarkable Faradaic efficiency, current density, and stability under practical reaction ...
Qiang Zhou +8 more
wiley +1 more source
Imaging of Biphoton States: Fundamentals and Applications
Advanced Functional Materials, EarlyView.Quantum states of two photons exhibit a rich polarization and spatial structure, which provides a fundamental resource of strongly correlated and entangled states. This review analyzes the physics of these intriguing properties and explores the various techniques and technologies available to measure them, including the state of the art of their ...
Alessio D'Errico, Ebrahim Karimi
wiley +1 more source
Advanced Functional Materials, EarlyView.A Cu‐based crystal‐glass composite with high‐density twins is identified by a fast screening technique using combinatorial sputtering together with XRD and nanoindentation mapping. This bamboo‐like structure demonstrates homogenous plastic flow and retains high strength during in situ high temperature tests, up to 1 GPa at 550°C, owing to those ...
Chunhua Tian +10 more
wiley +1 more source
Inverse problems via generalized contractive type operators
Journal of Numerical Analysis and Approximation Theory, 2010 We prove a "collage'' theorem for a generalized contractive type operators.
Ştefan M. Şoltuz
doaj +2 more sources
Extensions of pseudo-Perron-Frobenius splitting related to generalized inverse AT,S(2)
Special Matrices, 2018 We in this paper define the outer-Perron-Frobenius splitting, which is an extension of the pseudo- Perron-Frobenius splitting defined in [A.N. Sushama, K. Premakumari, K.C.
Huang Shaowu +3 more
doaj +1 more source