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Regulating the electronic structure of manganese-based materials to optimize the performance of zinc-ion batteries
A Zhang, R Zhao, Y Wang, JJ Yang, C Wu… - Energy & Environmental …, 2023 - pubs.rsc.org
Manganese-based materials are considered as one of the most promising energy storage
cathode materials for zinc-ion batteries (ZIBs). To achieve major breakthroughs in …
cathode materials for zinc-ion batteries (ZIBs). To achieve major breakthroughs in …
Revisiting the nature of chemical bonding in chalcogenides to explain and design their properties
Quantum chemical bonding descriptors have recently been utilized to design materials with
tailored properties. Their usage to facilitate a quantitative description of bonding in …
tailored properties. Their usage to facilitate a quantitative description of bonding in …
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
T Lu - The Journal of Chemical Physics, 2024 - pubs.aip.org
Analysis of electron wavefunction is a key component of quantum chemistry investigations
and is indispensable for the practical research of many chemical problems. After more than …
and is indispensable for the practical research of many chemical problems. After more than …
Boosting oxygen electrocatalytic activity of Fe–N–C catalysts by phosphorus incorporation
Nitrogen-doped graphitic carbon materials hosting single-atom iron (Fe–N–C) are major non-
precious metal catalysts for the oxygen reduction reaction (ORR). The nitrogen-coordinated …
precious metal catalysts for the oxygen reduction reaction (ORR). The nitrogen-coordinated …
Regulating electronic states of nitride/hydroxide to accelerate kinetics for oxygen evolution at large current density
Rational design efficient transition metal-based electrocatalysts for oxygen evolution
reaction (OER) is critical for water splitting. However, industrial water-alkali electrolysis …
reaction (OER) is critical for water splitting. However, industrial water-alkali electrolysis …
Dynamic chloride ion adsorption on single iridium atom boosts seawater oxidation catalysis
Seawater electrolysis offers a renewable, scalable, and economic means for green
hydrogen production. However, anode corrosion by Cl-pose great challenges for its …
hydrogen production. However, anode corrosion by Cl-pose great challenges for its …
Cation-doped ZnS catalysts for polysulfide conversion in lithium–sulfur batteries
Catalytic conversion of polysulfides is regarded as a crucial approach to enhancing kinetics
and suppressing the shuttle effect in lithium–sulfur (Li–S) batteries. However, the activity …
and suppressing the shuttle effect in lithium–sulfur (Li–S) batteries. However, the activity …
High-entropy Na-deficient layered oxides for sodium-ion batteries
Sodium layered oxides always suffer from sluggish kinetics and deleterious phase
transformations at deep-desodiation state (ie.,> 4.0 V) in O3 structure, incurring inferior rate …
transformations at deep-desodiation state (ie.,> 4.0 V) in O3 structure, incurring inferior rate …
Engineering d‐p Orbital Hybridization in Single‐Atom Metal‐Embedded Three‐Dimensional Electrodes for Li–S Batteries
Single‐atom metal catalysts (SACs) are used as sulfur cathode additives to promote battery
performance, although the material selection and mechanism that govern the catalytic …
performance, although the material selection and mechanism that govern the catalytic …