Black Phosphorous Mediates Surface Charge Redistribution of CoSe2 for Electrochemical H2O2 Production in Acidic Electrolytes
Sign Up to like & getrecommendations! Published in 2022 at "Advanced Materials"
DOI: 10.1002/adma.202205414
Abstract: Electrochemical generation of hydrogen peroxide (H2O2) by two‐electron oxygen reduction offers a green method to mitigate the current dependence on the energy‐intensive anthraquinone process, promising its on‐site applications. Unfortunately, in alkaline environments, H2O2 is not… read more here.
Keywords: charge redistribution; redistribution cose2; h2o2; acidic electrolytes ... See more keywords
Charge-Redistribution-Enhanced Nanocrystalline Ru@IrOx Electrocatalysts for Oxygen Evolution in Acidic Media
Sign Up to like & getrecommendations! Published in 2019 at "Chem"
DOI: 10.1016/j.chempr.2018.11.010
Abstract: Summary Achieving high activity and long-term stability is a major challenge in the design of catalysts. In particular, the oxygen evolution reaction (OER) in acidic media, which plays a key role in proton exchange membrane… read more here.
Keywords: charge redistribution; oxygen evolution; irox; acidic media ... See more keywords
Charge redistribution and electrode history impact galvanostatic charging/discharging and associated figures of merit
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Power Sources"
DOI: 10.1016/j.jpowsour.2019.227354
Abstract: Abstract This work highlights, for the first time, the important impact of charge redistribution (CR) on the results of galvanostatic charge/discharge (GCD) experiments, as demonstrated with pseudocapacitive manganese oxide films and a transmission line circuit.… read more here.
Keywords: electrode history; impact; figures merit; charge redistribution ... See more keywords
Challenges in Protein QM/MM Simulations with Intra-Backbone Link Atoms
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c01071
Abstract: Hybrid quantum mechanical/molecular mechanical (QM/MM) simulations fuel discoveries in many fields of science including computational biochemistry and enzymology. Development of more convenient tools leads to an increase in the number of works in which mechanical… read more here.
Keywords: charge redistribution; link atom; enzymology; intra backbone ... See more keywords
Surfaces, Shapes, and Bulk Properties of Crystals
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.8b03041
Abstract: We study the interplay between surface and bulk properties of macroscopic materials. It is demonstrated that the so-called polar surfaces may be stabilized through a charge redistribution between the complete set of surfaces that depends… read more here.
Keywords: surfaces shapes; shapes bulk; charge redistribution; bulk properties ... See more keywords
Charge Redistribution and Spin Polarization Driven by Correlation Induced Electron Exchange in Chiral Molecules
Sign Up to like & getrecommendations! Published in 2021 at "Nano Letters"
DOI: 10.1021/acs.nanolett.1c00183
Abstract: Chiral induced spin selectivity is a phenomenon that has been attributed to chirality, spin–orbit interactions, and nonequilibrium conditions, while the role of electron exchange and correlations have been investigated only marginally until very recently. However,… read more here.
Keywords: electron exchange; chiral molecules; charge redistribution; spin ... See more keywords
Encapsulated RuP2-RuS2 nanoheterostructure with regulated interfacial charge redistribution for synergistically boosting hydrogen evolution electrocatalysis.
Sign Up to like & getrecommendations! Published in 2022 at "Nanoscale"
DOI: 10.1039/d2nr00822j
Abstract: Exploring cost-effective electrocatalysts with suitable hydrogen binding strength and rational micro/nano-architecture towards the hydrogen evolution reaction (HER) is crucial for energy technologies, yet remains a tough challenge. Herein we present the first instance of a… read more here.
Keywords: hydrogen evolution; rup2 rus2; hydrogen; charge redistribution ... See more keywords
Supercapacitor charge redistribution analysis for power management of wireless sensor networks
Sign Up to like & getrecommendations! Published in 2017 at "Iet Power Electronics"
DOI: 10.1049/iet-pel.2015.1029
Abstract: To support many power management applications in wireless sensor networks, a previously developed model is modified to predict the terminal behaviour of a supercapacitor under a dynamic charging/discharging power profile. In addition, a robust model… read more here.
Keywords: charge redistribution; power management; power;
Polarity and charge redistribution induced emergent interfacial ferromagnetism in non-magnetic LaNiO3/SrMnO3 superlattices
Sign Up to like & getrecommendations! Published in 2020 at "Applied Physics Letters"
DOI: 10.1063/5.0028864
Abstract: Artificial heterostructures composed of strongly correlated oxides can host many up-and-coming phenomena. The interfacial ferromagnetism can be observed at the interface of paramagnetic LaNiO3 (LNO) and G-type antiferromagnetic SrMnO3 (SMO). Through the macroscopic magnetic and… read more here.
Keywords: smo; interfacial ferromagnetism; charge redistribution; exchange ... See more keywords
Effect of charge redistribution on the binding of DNA nucleotide to carbon nanotube in molecular dynamics
Sign Up to like & getrecommendations! Published in 2017 at "Molecular Simulation"
DOI: 10.1080/08927022.2017.1279285
Abstract: Abstract All-atom molecular dynamics (MD) simulations are performed to study the binding of DNA nucleotides with two carbon nanotubes (CNTs) with similar diameters but different chiralities. Two schemes for assigning partial atomic charges (PACs) are… read more here.
Keywords: carbon; molecular dynamics; dna nucleotide; charge redistribution ... See more keywords
MIMO Switched-Capacitor DC–DC Converters Using Only Parasitic Capacitances Through Scalable Parasitic Charge Redistribution
Sign Up to like & getrecommendations! Published in 2017 at "IEEE Journal of Solid-State Circuits"
DOI: 10.1109/jssc.2017.2700009
Abstract: This paper presents a multiple-input multiple-output (MIMO) switched-capacitor (SC) dc–dc converter that only uses the parasitic capacitance already present in fully integrated SC power converters to generate multiple dc voltages. When used in an SC… read more here.
Keywords: switched capacitor; scalable parasitic; parasitic charge; charge redistribution ... See more keywords