Nano-Micro Letters · 2022 · 92 citations · 66 references
Natural SciencesMaterials EngineeringMaterials ScienceElectrochemistrySurface ChemistrySurface ScienceAnode MaterialsCoatingsElectrode KineticsElectrode MaterialsIon-conducting MaterialsProtein AdsorptionAnode BehaviorAnode Coating StrategiesAnodic PolarizationCharge Transfer KineticsElectrode CoatingsElectrode Interface EngineeringElectrode Surface EngineeringHigh-rate Performance
Abstract Metallic interface engineering is a promising strategy to stabilize Zn anode via promoting Zn 2+ uniform deposition. However, strong interactions between the coating and Zn 2+ and sluggish transport of Zn 2+ lead to high anodic polarization. Here, we present a bio-inspired silk fibroin (SF) coating with amphoteric charges to construct an interface reversible electric field, which manipulates the transfer kinetics of Zn 2+ and reduces anodic polarization. The alternating positively and negatively charged surface as a build-in driving force can expedite and homogenize Zn 2+ flux via the interplay between the charged coating and adsorbed ions, endowing the Zn-SF anode with low polarization voltage and stable plating/stripping. Experimental analyses with theoretical calculations suggest that SF can facilitate the desolvation of [Zn(H 2 O) 6 ] 2+ and provide nucleation sites for uniform deposition. Consequently, the Zn-SF anode delivers a high-rate performance with low voltage polarization (83 mV at 20 mA cm −2 ) and excellent stability (1500 h at 1 mA cm −2 ; 500 h at 10 mA cm −2 ), realizing exceptional cumulative capacity of 2.5 Ah cm −2 . The full cell coupled with Zn x V 2 O 5 ·nH 2 O (ZnVO) cathode achieves specific energy of ~ 270.5/150.6 Wh kg −1 (at 0.5/10 A g −1 ) with ~ 99.8% Coulombic efficiency and retains ~ 80.3% (at 5.0 A g −1 ) after 3000 cycles.
66
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
A smooth particle mesh Ewald method
Ulrich Essmann, L. Perera, Max L. Berkowitz et al. · The Journal of Chemical Physics · 1995 · 22.9K citations
GROMACS: Fast, flexible, and free
David van der Spoel, Erik Lindahl, Berk Hess et al. · Journal of Computational Chemistry · 2005 · 19.1K citations
Natural Sciences, Chemistry, Physics +17
Canonical sampling through velocity rescaling
Giovanni Bussi, Davide Donadio, Michele Parrinello · The Journal of Chemical Physics · 2007 · 18.4K citations · Full text
Natural Sciences, Chemistry, Physics +17
LINCS: A linear constraint solver for molecular simulations
Berk Hess, Henk Bekker, Herman J. C. Berendsen et al. · Journal of Computational Chemistry · 1997 · 17.1K citations
Natural Sciences, Chemistry, Physics +14