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 …

Revisiting the nature of chemical bonding in chalcogenides to explain and design their properties

M Wuttig, CF Schön, J Lötfering, P Golub… - Advanced …, 2023‏ - Wiley Online Library
Quantum chemical bonding descriptors have recently been utilized to design materials with
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 …

Boosting oxygen electrocatalytic activity of Fe–N–C catalysts by phosphorus incorporation

Y Zhou, R Lu, X Tao, Z Qiu, G Chen… - Journal of the …, 2023‏ - ACS Publications
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 …

Regulating electronic states of nitride/hydroxide to accelerate kinetics for oxygen evolution at large current density

P Zhai, C Wang, Y Zhao, Y Zhang, J Gao, L Sun… - Nature …, 2023‏ - nature.com
Rational design efficient transition metal-based electrocatalysts for oxygen evolution
reaction (OER) is critical for water splitting. However, industrial water-alkali electrolysis …

Dynamic chloride ion adsorption on single iridium atom boosts seawater oxidation catalysis

X Duan, Q Sha, P Li, T Li, G Yang, W Liu, E Yu… - Nature …, 2024‏ - nature.com
Seawater electrolysis offers a renewable, scalable, and economic means for green
hydrogen production. However, anode corrosion by Cl-pose great challenges for its …

Cation-doped ZnS catalysts for polysulfide conversion in lithium–sulfur batteries

Z Shen, X **, J Tian, M Li, Y Yuan, S Zhang, S Fang… - Nature Catalysis, 2022‏ - nature.com
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 …

High-entropy Na-deficient layered oxides for sodium-ion batteries

H Wang, X Gao, S Zhang, Y Mei, L Ni, J Gao, H Liu… - ACS …, 2023‏ - ACS Publications
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 …

Engineering d‐p Orbital Hybridization in Single‐Atom Metal‐Embedded Three‐Dimensional Electrodes for Li–S Batteries

Z Han, S Zhao, J **ao, X Zhong, J Sheng… - Advanced …, 2021‏ - Wiley Online Library
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 …