The role of oxygen vacancies in water splitting photoanodes

R Fernández-Climent, S Giménez… - Sustainable Energy & …, 2020‏ - pubs.rsc.org
Photoelectrochemical water splitting has become one of the most reliable solar-energy
conversion technologies for clean hydrogen production. In the race of develo** and …

Mechanisms of water oxidation on heterogeneous catalyst surfaces

X Yang, Y Wang, CM Li, D Wang - Nano Research, 2021‏ - Springer
Water oxidation, an essential step in photosynthesis, has attracted intense research
attention. Understanding the reaction pathways at the electrocatalyst/water interface is of …

Understanding the roles of oxygen vacancies in hematite‐based photoelectrochemical processes

Z Wang, X Mao, P Chen, M **ao, SA Monny… - Angewandte …, 2019‏ - Wiley Online Library
Oxygen vacancy (VO) engineering is an effective method to tune the photoelectrochemical
(PEC) performance, but the influence of VO on photoelectrodes is not well understood …

Why do we use the materials and operating conditions we use for heterogeneous (photo) electrochemical water splitting?

A Govind Rajan, JMP Martirez, EA Carter - ACS Catalysis, 2020‏ - ACS Publications
Water splitting through the use of (photo) electrocatalysts is a carbon-free route to
sustainably produce hydrogen gas for use in various applications, such as ammonia and …

Oxygen evolution at hematite surfaces: the impact of structure and oxygen vacancies on lowering the overpotential

X Zhang, P Klaver, R van Santen… - The Journal of …, 2016‏ - ACS Publications
Simulations of the oxygen evolution reaction (OER) are essential for understanding the
limitations of water splitting. Most research has focused so far on the OER at flat metal oxide …

Revealing the defect-dominated oxygen evolution activity of hematene

B Mohanty, Y Wei, M Ghorbani-Asl… - Journal of Materials …, 2020‏ - pubs.rsc.org
Oxygen electrocatalysis is vital for advanced energy technologies, but inordinate challenges
remain due to the lack of highly active earth-abundant catalysts. Herein, by nanostructuring …

Mixed-ligand-architected 2D Co (II)-MOF expressing a novel topology for an efficient photoanode for water oxidation using visible light

K Natarajan, AK Gupta, SN Ansari… - … Applied Materials & …, 2019‏ - ACS Publications
The structural diversity of Co (II) metal centers is known to influence their physicochemical
properties. A novel two-dimensional (2D) Co (II)-MOF {[Co5 (HL) 4 (dpp) 2 (H2O) 2 (μ-OH) …

Soft-sphere continuum solvation in electronic-structure calculations

G Fisicaro, L Genovese, O Andreussi… - Journal of chemical …, 2017‏ - ACS Publications
We present an implicit solvation approach where the interface between the quantum-
mechanical solute and the surrounding environment is described by a fully continuous …

Enhanced PPCP electrooxidation in pharmaceutical wastewater by cocatalyst modification over Ti-doped α-Fe2O3 electrodes

S Zhang, J Huang, X Wu, W Leng, H Lu, X Xu… - Chemical Engineering …, 2023‏ - Elsevier
Acetaminophen (APAP), a common pharmaceutical and personal care product, is highly
toxic and resistant to conventional wastewater treatment. Electrochemical oxidation is a …

Modeling and simulations in photoelectrochemical water oxidation: from single level to multiscale modeling

X Zhang, A Bieberle‐Hütter - ChemSusChem, 2016‏ - Wiley Online Library
This review summarizes recent developments, challenges, and strategies in the field of
modeling and simulations of photoelectrochemical (PEC) water oxidation. We focus on …