Results 221 to 230 of about 655,640 (396)
The fabrication of patterned transition metal dichalcogenide (TMD)/graphene heterostructures via direct laser writing reveals new interface chemistry and enables efficient, customizable assembly. Selective laser irradiation of functionalized TMD/graphene triggers localized reactions, forming chemically modified interfaces.
Xin Chen+12 more
wiley +1 more source
A CLOSE ACCORD ON DFT BASED FREQUECY AND PHASOR ESTIMATORS USED IN NUMERICAL RELAYS [PDF]
H.A. Darwish
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Sono‐Piezo‐Photosynthesis of Ethylene and Acetylene from Bioethanol under Ambient Conditions
A novel sono‐piezo‐photocatalytic strategy enables the conversion of bioethanol to ethylene (C2H4) and acetylene (C2H2) under ambient conditions, addressing the limitations of conventional methods that are high‐temperature and energy‐intensive. By using an advanced graphene oxide/sodium bismuth titanate heterostructure catalyst, this work achieved ...
Yue Jiang+21 more
wiley +1 more source
Analysis of the magnetic coupling in binuclear complexes. II. Derivation of valence effective Hamiltonians from ab initio CI and DFT calculations [PDF]
Carmen J. Calzado+3 more
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High‐Entropy Magnetism of Murunskite
The study of murunskite (K2FeCu3S4) reveals that its magnetic and orbital order emerges in a simple I4/mmm crystal structure with complete disorder in the transition metal positions. Mixed‐valence Fe ions randomly occupy 1/4 of the tetrahedral sites, with the remaining 3/4 being filled by non‐magnetic Cu+ ions.
Davor Tolj+18 more
wiley +1 more source
Gd‐Induced Oxygen Vacancy Creation Activates Lattice Oxygen Oxidation for Water Electrolysis
DFT calculations shows that Gd incorporation into Fe‐doped NiO raises the O 2p band center, lowers oxygen vacancy formation energy, and thus promotes the LOM mechanism for OER. Gd and Fe co‐doped NiO nanosheets synthesized via spray combustion exhibits a low overpotential of 227 mV and maintains stable AEMWE performance for over 120 h, demonstrating ...
Yong Wang+18 more
wiley +1 more source
The O-H Bond Dissociation Energies of Substituted Phenols and Proton Affinities of Substituted Phenoxide Ions: A DFT Study [PDF]
Asit K. Chandra, Tadafumi Uchimaru
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The PDEM‐based SIGPE provides a dynamic nanophase from Li+‐bridged molecular self‐association, enhancing electrochemical stability and facilitating uniform Li+ ion flux at the interface. This unique solvation structure results in a hetero species‐driven inorganic‐rich SEI and long‐term cycle stability, suggesting that a PFAS‐free Li+‐containing monomer
Susung Yun+5 more
wiley +1 more source
Post Hartree–Fock and DFT Studies on Pyrrole···Nitrogen and Pyrrole···Carbon Monoxide Molecules [PDF]
R. Kanakaraju, P. Kolandaivel
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