Accelerating charge transfer at an ultrafine NiFe-LDHs/CB interface during the electrocatalyst activation process for water oxidation

2020 ◽  
Vol 49 (22) ◽  
pp. 7436-7443
Author(s):  
Mengke Cai ◽  
Qinglin Liu ◽  
Yiyue Zhao ◽  
Zhenyu Wang ◽  
Yinle Li ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Chemical Bonding ◽  
Water Oxidation ◽  
Active Sites ◽  
Interface Structure ◽  
Bonding Interface ◽  
Redox Process ◽  
Activation Process

Benefiting from chemical bonding interface and homogeneity of active sites, NiFe-LDHs/CB possesses a faster nickel redox process, a tighter interface structure, and an increased number of active sites during activation process.

NiMn compound nanosheets for electrocatalytic water oxidation: effects of atomic structures and oxidation states

Nanoscale ◽  
2020 ◽  
Vol 12 (4) ◽  
pp. 2472-2478 ◽  
Author(s):  
Zhuwen Chen ◽  
Zheng Wang ◽  
Rongming Cai ◽  
Yangshan Xie ◽  
Jun Yu ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Water Oxidation ◽  
Active Sites ◽  
Oxidation States ◽  
Fast Charge ◽  
Atomic Structures ◽  
Catalytic Active Sites ◽  
Transfer Properties

Layered Mn-compounds with abundant catalytic active sites and fast charge transfer properties exhibit advanced OER performances.

Boosted charge transfer in oxygen vacancy-rich K+ birnessite MnO2 for water oxidation and zinc-ion batteries

2021 ◽  
Vol 378 ◽  
pp. 138147
Author(s):  
MengXian Lin ◽  
Fuqiang Shao ◽  
Shuting Weng ◽  
Shanshan Xiong ◽  
Shuai Liu ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Oxygen Vacancy ◽  
Water Oxidation ◽  
Zinc Ion

Fast microwave-assisted preparation of nickel–copper–chromium-layered double hydroxide as an excellent electrocatalyst for water oxidation

2021 ◽  
Author(s):  
Kamellia Nejati ◽  
Leila Jafari Foruzin ◽  
Zolfaghar Rezvani
Keyword(s):  
Charge Transfer ◽  
Layered Double Hydroxide ◽  
Water Oxidation ◽  
Bandgap Energy ◽  
Microwave Method ◽  
Optimal Amount ◽  
Microwave Assisted ◽  
Nickel Copper ◽  
Copper Chromium ◽  
Double Hydroxide

A well-designed NiCuCr-LDH was prepared using a simple microwave method. According to the OER results, doping optimal amount of Cu2+ into NiCr-LDH displayed superior OER activity, due to decreased bandgap energy and improved charge transfer.

Oriental and robust anchoring of Fe via anodic interfacial coordination assembly on ultrathin Co hydroxides for efficient water oxidation

Nanoscale ◽  
2021 ◽  
Author(s):  
Ya-Nan Zhou ◽  
Ruo-Yao Fan ◽  
Yu-Ning Cao ◽  
Hui-Ying Wang ◽  
Bin Dong ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Water Oxidation ◽  
Active Sites

The oriental distribution and strong conjunction of Fe active sites in multiple metals hydroxides are very crucial to modulate the activity and stability for efficient oxygen evolution reaction (OER). Whereas,...

Molecular Dynamics Study Of Si/Si3N4 Interface

1996 ◽  
Vol 446 ◽  
Author(s):  
Martina E. Bachlechner ◽  
Ingvar Ebbsjö ◽  
Rajiv K. Kalia ◽  
Priya Vashishta
Keyword(s):  
Molecular Dynamics ◽  
Electronic Structure ◽  
Charge Transfer ◽  
Md Simulations ◽  
Electronic Structure Calculations ◽  
Interface Structure ◽  
Bond Bending ◽  
Three Body ◽  
Structure Calculations ◽  
Weber Potential

AbstractStructural correlations at the Si(111)/Si3N4(0001) interface are studied using the molecular dynamics (MD) method. In the bulk, Si is described by the Stillinger-Weber potential and Si3N4 by an interaction potential which contains two-body (steric, Coulomb, electronic polarizabilities) and three-body (bond bending and stretching) terms. At the interface, the charge transfer from silicon to nitrogen is taken from LCAO electronic structure calculations. Using these Si, Si3N4 and interface interactions in MD simulations, the interface structure (atomic positions, bond lengths, and bond angles) is determined. Results for fracture in silicon are also presented.

scholarly journals Nano-sized manganese oxides as biomimetic catalysts for water oxidation in artificial photosynthesis: a review

2012 ◽  
Vol 9 (75) ◽  
pp. 2383-2395 ◽  
Author(s):  
Mohammad Mahdi Najafpour ◽  
Fahimeh Rahimi ◽  
Eva-Mari Aro ◽  
Choon-Hwan Lee ◽  
Suleyman I. Allakhverdiev
Keyword(s):  
Hydrogen Production ◽  
Water Splitting ◽  
Water Oxidation ◽  
Active Sites ◽  
Manganese Oxides ◽  
Metal Compounds ◽  
Functional Models ◽  
Current Densities ◽  
Conversion Efficiencies ◽  
Manganese Compounds

There has been a tremendous surge in research on the synthesis of various metal compounds aimed at simulating the water-oxidizing complex (WOC) of photosystem II (PSII). This is crucial because the water oxidation half reaction is overwhelmingly rate-limiting and needs high over-voltage (approx. 1 V), which results in low conversion efficiencies when working at current densities required for hydrogen production via water splitting. Particular attention has been given to the manganese compounds not only because manganese has been used by nature to oxidize water but also because manganese is cheap and environmentally friendly. The manganese–calcium cluster in PSII has a dimension of about approximately 0.5 nm. Thus, nano-sized manganese compounds might be good structural and functional models for the cluster. As in the nanometre-size of the synthetic models, most of the active sites are at the surface, these compounds could be more efficient catalysts than micrometre (or bigger) particles. In this paper, we focus on nano-sized manganese oxides as functional and structural models of the WOC of PSII for hydrogen production via water splitting and review nano-sized manganese oxides used in water oxidation by some research groups.

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