☆ 4.5 Article

The graphene-supported Lanthanum oxide cluster as efficient bifunctional electrocatalyst for oxygen reaction

MOLECULAR CATALYSIS (2023)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Chemistry, Physical

Coordination environments tune the activity of oxygen catalysis on single atom catalysts: A computational study

Gaofan Xiao et al.

Summary: By utilizing density functional theory calculations, this research systematically studied the ORR/OER performances of nitrogen-coordinated transition metal carbon materials and found that asymmetric tri-coordinated catalysts, particularly NiN3-C, exhibit stronger catalytic intermediate adsorption capacity and lower overpotential, making them highly efficient bifunctional catalysts for oxygen catalysis. The enhanced effect is attributed to additional orbital interaction, as evidenced by changes in d-band center and integral crystal orbital Hamilton population. This study not only provides a potential bifunctional oxygen catalyst, but also enriches knowledge in coordination engineering for tailoring the activity of single-atom catalysts.

NANO RESEARCH (2022)

添加到收藏夹

Article Chemistry, Physical

Single Ir atom anchored in pyrrolic-N4 doped graphene as a promising bifunctional electrocatalyst for the ORR/OER: a computational study

Xinyi Li et al.

Summary: In this study, the potential of pyrrolic-N doped graphene supported various transition metal atoms as electrocatalysts for ORR and OER was systematically explored using DFT computations. The Ir/pyrrolic-N-4-G exhibited promising bifunctional electrocatalytic performance with low overpotentials. Multiple-level descriptors were used to rationalize the high catalytic activity of Ir/pyrrolic-N-4-G for the ORR/OER.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2022)

添加到收藏夹

Article Materials Science, Multidisciplinary

DFTB investigations of structures and electron states for a decahedron Ti7 cluster on graphene on electrical level

Zhuo Wang et al.

Summary: We investigated the adsorption behavior of a decahedron Ti7 cluster on graphene using self-consistent charge density functional tight binding simulations. Our results show that defective graphene facilitates strong binding of the cluster and leads to significant charge transfer.

DIAMOND AND RELATED MATERIALS (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Computational screening of single-atom catalysts supported by VS2 monolayers for electrocatalytic oxygen reduction/evolution reactions

Zengming Qin et al.

Summary: By performing comprehensive first-principles computations, the catalytic activities of single transition metal atoms anchored on VS2 monolayers were systematically explored. It was found that Ni@VS2 exhibited low overpotentials for both ORR and OER, indicating its potential as a bifunctional catalyst. The doping of nitrogen heteroatoms into the VS2 substrate further improved the ORR/OER activity of the catalysts.

NANOSCALE (2022)

添加到收藏夹

Article Chemistry, Physical

Enhanced oxygen reduction reaction performance of ReOx/NC (Re = La, Ce, Pr, Sm, Eu, Tb, Er, Tm and Yb)-especially Pr6O11/NC via accommodating oxygen vacancies and its application for Zn-air battery

Dewei Li et al.

Summary: A series of rare earth oxides electrocatalysts were prepared with optimized addition of rare earth for enhanced ORR activities. The study showed that ORR performance of rare earth oxides composited carbon catalysts can be improved through accommodating oxygen vacancies. The best composite catalyst was chosen for detailed exploration and the performance in rechargeable Zn-air battery was also investigated, laying a good foundation for further exploration of rare earth based ORR catalyst with higher performance.

APPLIED SURFACE SCIENCE (2021)

添加到收藏夹

Article Chemistry, Physical

Eu2O3-Cu/NC nanocomposite catalyst with improved oxygen reduction reaction activity for Zn-air batteries

Liyuan Sun et al.

Summary: The rare earth oxide promoted transition metal composite catalyst displays outstanding ORR performance and stability, suitable for rechargeable Zn-air batteries, with potential application prospects in the field of energy conversion.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2021)

添加到收藏夹

Article Chemistry, Physical

Graphene-Based Dual-Metal Sites for Oxygen Reduction Reaction: A Theoretical Study

Jiayi Xu et al.

Summary: Single-atom catalysts have expanded the design paradigm for oxygen reduction reactions, with dual-metal active centers embedded in a monolayer of graphene showing promising potential as platinum-free alternatives, particularly Fe-Co(OH)(s) exhibiting the highest activity.

JOURNAL OF PHYSICAL CHEMISTRY C (2021)

添加到收藏夹

Article Chemistry, Physical

Rare earth insitu-doped ZIF-67 derived N doped C encapsulated Sm2O3/Co nanoparticles as excellent oxygen reduction reaction catalyst for Al-air batteries

Dewei Li et al.

Summary: A novel carbon-coupled rare earth Sm-doped zeolitic imidazolate framework-67 (ZIF-67) derived Sm2O3-Co/NEC300J electrocatalyst was prepared with highly dispersed active sites and high conductivity. The introduction of Sm2O3 and EC300J improved the ORR performance significantly, leading to high activities and stability compared to counterparts. In Al-air battery application, Sm2O3-Co/NEC300J displayed specific capacity almost equal to Pt/C, with higher peak power density and discharge voltage compared to other catalysts.

JOURNAL OF POWER SOURCES (2021)

添加到收藏夹

Article Electrochemistry

Cobalt-Phosphorus Decorated Graphene as Electrocatalyst for Oxygen Reduction Reactions: A Density Functional Theory Study

F. X. Chen et al.

Summary: This study investigates the ORR electrocatalysis catalyzed by Co/P doped graphene using density functional theory calculations. The binding strength between Co and its coordination effectively guarantees the stability of Co atomic distribution, and the P ligand is easily oxidized by OH activator to boost ORR activity.

INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE (2021)

添加到收藏夹

Article Engineering, Environmental

Strongly stabilized integrated bimetallic oxide of Fe2O3-MoO3 Nano-crystal entrapped N-doped graphene as a superior oxygen reduction reaction electrocatalyst

Kakali Maiti et al.

Summary: This study focused on the synthesis of a Fe2O3-MoO3/NG core-shell catalyst for oxygen reduction reaction in fuel cells, which demonstrated excellent catalytic activity and long-term durability, as well as better methanol tolerance. The unique synergistic interactions of bimetallic Fe2O3-MoO3 and nitrogen-doped graphene support contribute to enhancing catalytic activity. The Fe2O3-MoO3/NG core-shell structure shows high potential to be an efficient non-precious electrocatalyst with promising applications in electrochemical energy conversion and storage.

CHEMICAL ENGINEERING JOURNAL (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Highly Dispersive Cerium Atoms on Carbon Nanowires as Oxygen Reduction Reaction Electrocatalysts for Zn-Air Batteries

Jin-Cheng Li et al.

Summary: This study introduces a single-atom Ce-NC catalyst, which boosts the activity of oxygen reduction reaction by anchoring atomically dispersed cerium on Ndoped porous carbon nanowires. The catalyst exhibits high activity with ORR half-wave potentials comparable to Fe-N-C catalysts, and shows excellent performance and durability in a zinc-air battery. Density functional theory calculations demonstrate that atomically dispersed cerium can significantly reduce the energy barrier of the rate-determining step, leading to improved ORR activity.

NANO LETTERS (2021)

添加到收藏夹

Article Chemistry, Physical

Electronic tuning of confined sub-nanometer cobalt oxide clusters boosting oxygen catalysis and rechargeable Zn-air batteries

Yangyang Tan et al.

Summary: This study predicted the electronic structure regulation of cobalt oxide nanoclusters using DFT simulation, and experimentally verified the enhancement of bifunctional oxygen performance through microporous MOFs confinement strategy. The optimized catalyst demonstrated outstanding performance in rechargeable Zn-air batteries, outperforming benchmark electrodes. DFT calculations showed that reducing particle size and coupling with Co-N can effectively regulate the charge distribution of CoOx nanoclusters and accelerate the overall ORR/OER kinetic process.

NANO ENERGY (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Uncovering the Promotion of CeO2/CoS1.97 Heterostructure with Specific Spatial Architectures on Oxygen Evolution Reaction

Tengyuan Dai et al.

Summary: Structural engineering and compositional controlling are crucial in designing advanced freestanding electrocatalysts. The spatial distribution of components plays a significant role in enhancing electrocatalysis performance, with CeO2-CoS1.97 and CoS1.97-CeO2 materials showing different behaviors in the oxygen evolution reaction.

ADVANCED MATERIALS (2021)

添加到收藏夹

Article Materials Science, Multidisciplinary

Iron-zinc bimetal embedded N-doped graphene for the oxygen reduction reaction catalysis: A density functional theory study

Shihong Huang et al.

Summary: The study reveals that FeZnN6 exhibits strong binding strength in the ORR, however, after modification with ligands, FeZnN6(OH) shows excellent catalytic activity with an ORR overpotential of only 0.37 V. Additionally, FeZnN6(OH) is predicted to have outstanding poisoning-tolerance ability to various species such as CO, NO, NH3, SO2, and H2S.

DIAMOND AND RELATED MATERIALS (2021)

添加到收藏夹

Review Chemistry, Multidisciplinary

Advanced Transition Metal-Based OER Electrocatalysts: Current Status, Opportunities, and Challenges

Kexin Zhang et al.

Summary: Oxygen evolution reaction (OER) is crucial in electrochemical applications like water splitting and rechargeable metal-air batteries, but its slow kinetics presents a performance bottleneck. Therefore, rational design of OER electrocatalysts based on understanding mechanisms and structure-activity relationship is essential. Study of reaction pathways, intermediates, and descriptors can lead to more efficient design of transition metal-based OER electrocatalysts.

SMALL (2021)

添加到收藏夹

Review Materials Science, Multidisciplinary

Advances in Understanding of the Application of Unit Operations in Metallurgy of Rare Earth Elements

Srecko Stopic et al.

Summary: Unit operations play a crucial role in non-ferrous extractive metallurgy, involving processes such as hydrometallurgy, pyrometallurgy, and electrometallurgy. The increasing demand for critical metals like rare earth elements drives the advancement of these processes, which include dissolution, precipitation, separation, crystallization, and various purification methods.

METALS (2021)

添加到收藏夹

Article Chemistry, Physical

Unravelling the origin of bifunctional OER/ORR activity for single-atom catalysts supported on C2N by DFT and machine learning

Yiran Ying et al.

Summary: This study showcases the promising bifunctional OER/ORR catalytic performance of single-atom catalysts supported on the C2N monolayer, with Rh@C2N, Au, and Pd@C2N demonstrating superior activity. The origin of this catalytic activity is revealed through DFT calculations and ML modelling, shedding light on the underlying mechanisms and element-specific activity.

JOURNAL OF MATERIALS CHEMISTRY A (2021)

添加到收藏夹

Review Engineering, Multidisciplinary

Perspective and Prospects for Rare Earth Permanent Magnets

J. M. D. Coey

ENGINEERING (2020)

添加到收藏夹

Article Chemistry, Physical

Cage-confinement pyrolysis route to size-controlled molybdenum-based oxygen electrode catalysts: From isolated atoms to clusters and nanoparticles

Zongkui Kou et al.

NANO ENERGY (2020)

添加到收藏夹

Article Chemistry, Physical

Mechanisms insight into oxygen reduction reaction on sulfur-doped Fe-N2 graphene electrocatalysts

Wenjie Qi et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2020)

添加到收藏夹

Article Chemistry, Physical

Gadolinium-Induced Valence Structure Engineering for Enhanced Oxygen Electrocatalysis

Meng Li et al.

ADVANCED ENERGY MATERIALS (2020)

添加到收藏夹

Article Chemistry, Physical

Evaluating the catalytic activity of transition metal dimers for the oxygen reduction reaction

Zhao Liang et al.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Unveiling the Axial Hydroxyl Ligand on Fe-N4-C Electrocatalysts and Its Impact on the pH-Dependent Oxygen Reduction Activities and Poisoning Kinetics

Xin Yang et al.

ADVANCED SCIENCE (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Hexagonal La2O3 Nanocrystals Chemically Coupled with Nitrogen-Doped Porous Carbon as Efficient Catalysts for the Oxygen Reduction Reaction

Jing Zhao et al.

CHEMISTRY-A EUROPEAN JOURNAL (2020)

添加到收藏夹

Article Chemistry, Physical

3D Rosa centifolia-like CeO2 encapsulated with N-doped carbon as an enhanced electrocatalyst for Zn-air batteries

Yumao Kang et al.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2020)

添加到收藏夹

Article Chemistry, Physical

Transition metal-Nx doped graphene as an efficient oxygen reduction reaction catalyst: A theoretical perspective

Mingwei Chen et al.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2020)

添加到收藏夹

Article Chemistry, Physical

DFT study of the hydrogen adsorption and storage on Ni4 cluster embedded in multivacancy graphene

V Orazi et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2020)

添加到收藏夹

Article Chemistry, Physical

One-step electrodeposition of carbon quantum dots and transition metal ions for N-doped carbon coupled with NiFe oxide clusters: A high-performance electrocatalyst for oxygen evolution

Shaoxuan Yang et al.

NANO ENERGY (2020)

添加到收藏夹

Review Materials Science, Multidisciplinary

Recent Progress of Carbon-Supported Single-Atom Catalysts for Energy Conversion and Storage

Yongchao Yang et al.

MATTER (2020)

添加到收藏夹

Article Chemistry, Physical

Exploring the oxygen electrode bi-functional activity of Ni-N-C-doped graphene systems with N, C co-ordination and OH ligand effects

Zhao Liang et al.

JOURNAL OF MATERIALS CHEMISTRY A (2020)

添加到收藏夹

Review Materials Science, Multidisciplinary

Laser Sources Based on Rare-Earth Ion Doped Tellurite Glass Fibers and Microspheres

Elena A. Anashkina

FIBERS (2020)

添加到收藏夹

Article Chemistry, Physical

Revealing the oxygen reduction reaction activity origin of single atoms supported on g-C3N4 monolayers: a first-principles study

Huan Niu et al.

JOURNAL OF MATERIALS CHEMISTRY A (2020)

添加到收藏夹

Article Environmental Studies

Long-term outlook for global rare earth production

Jianliang Wang et al.

RESOURCES POLICY (2020)

添加到收藏夹

Article Chemistry, Physical

Two-sites are better than one: revisiting the OER mechanism on CoOOH by DFT with electrode polarization

Antton Curutchet et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

添加到收藏夹

Review Chemistry, Multidisciplinary

Application of In Situ Techniques for the Characterization of NiFe-Based Oxygen Evolution Reaction (OER) Electrocatalysts

Kaiyue Zhu et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)

添加到收藏夹

Article Chemistry, Physical

2D transition metal-TCNQ sheets as bifunctional single-atom catalysts for oxygen reduction and evolution reaction (ORR/OER)

Qingming Deng et al.

JOURNAL OF CATALYSIS (2019)

添加到收藏夹

Article Energy & Fuels

Enhanced hydrogen evolution reaction on highly stable titania-supported PdO and Eu2O3 nanocomposites in a strong alkaline solution

Mohamed M. Ibrahim et al.

INTERNATIONAL JOURNAL OF ENERGY RESEARCH (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

An Isolated Zinc-Cobalt Atomic Pair for Highly Active and Durable Oxygen Reduction

Ziyang Lu et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)

添加到收藏夹

Article Chemistry, Physical

Overview of the next quarter century vision of hydrogen fuel cell electric vehicles

Bahattin Tanc et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)

添加到收藏夹

Article Chemistry, Physical

Hydroxyl group modification improves the electrocatalytic ORR and OER activity of graphene supported single and bi-metal atomic catalysts (Ni, Co, and Fe)

Xiaomei Zhao et al.

JOURNAL OF MATERIALS CHEMISTRY A (2019)

添加到收藏夹

Article Chemistry, Physical

Identification of single-atom active sites in carbon-based cobalt catalysts during electrocatalytic hydrogen evolution

Linlin Cao et al.

NATURE CATALYSIS (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Oxygen reduction reaction mechanism on P, N co-doped graphene: a density functional theory study

Zhao Liang et al.

NEW JOURNAL OF CHEMISTRY (2019)

添加到收藏夹

Article Electrochemistry

Experimental and Theoretical Trends of PGM-Free Electrocatalysts for the Oxygen Reduction Reaction with Different Transition Metals

Ulises Martinez et al.

JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2019)

添加到收藏夹

Article Chemistry, Physical

Constructing ultrathin CoP nanomeshes by Er-doping for highly efficient bifunctional electrocatalysts for overall water splitting

Gengwei Zhang et al.

JOURNAL OF MATERIALS CHEMISTRY A (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Systematic exploration of N, C configurational effects on the ORR performance of Fe-N doped graphene catalysts based on DFT calculations

Fan Liu et al.

RSC ADVANCES (2019)

添加到收藏夹

Article Chemistry, Applied

Computational predictive design for metal-decorated-graphene size-specific subnanometer to nanometer ORR catalysts

Tamara Lozano et al.

CATALYSIS TODAY (2018)

添加到收藏夹

Article Chemistry, Multidisciplinary

Tuning Bifunctional Oxygen Electrocatalysts by Changing the A-Site Rare-Earth Element in Perovskite Nickelates

Le Wang et al.

ADVANCED FUNCTIONAL MATERIALS (2018)

添加到收藏夹

Article Chemistry, Physical

Boron-Doped C3N Monolayer as a Promising Metal-Free Oxygen Reduction Reaction Catalyst: A Theoretical Insight

Bingling He et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

添加到收藏夹

Article Chemistry, Physical

Silver cluster supported on nitrogen-doped graphene as an electrocatalyst with high activity and stability for oxygen reduction reaction

Seifollah Jalili et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2017)

添加到收藏夹

Article Chemistry, Multidisciplinary

Single-Atomic Ruthenium Catalytic Sites on Nitrogen-Doped Graphene for Oxygen Reduction Reaction in Acidic Medium

Chenhao Zhang et al.

ACS NANO (2017)

添加到收藏夹

Article Chemistry, Physical

Carbon supported Pt-Y2O3 and Pt-Gd2O3 nanoparticles prepared via carbonyl chemical route towards oxygen reduction reaction: Kinetics and stability

Yun Luo et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2016)

添加到收藏夹

Article Chemistry, Multidisciplinary

Toward synergy of carbon and La2O3 in their hybrid as an efficient catalyst for the oxygen reduction reaction

Nan Wang et al.

RSC ADVANCES (2016)

添加到收藏夹

Article Chemistry, Physical

Rational design of common transition metal-nitrogen-carbon catalysts for oxygen reduction reaction in fuel cells

Yongping Zheng et al.

NANO ENERGY (2016)

添加到收藏夹

Review Chemistry, Multidisciplinary

Toward the rational design of non-precious transition metal oxides for oxygen electrocatalysis

Wesley T. Hong et al.

ENERGY & ENVIRONMENTAL SCIENCE (2015)

添加到收藏夹

Article Chemistry, Physical

Fe- and Co-P4-embedded graphenes as electrocatalysts for the oxygen reduction reaction: theoretical insights

Liyan Feng et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

添加到收藏夹

Article Electrochemistry

Facile preparation of La(OH)3 and La2O3 nanorods aligned along the electrode surface: Pulsed cathodic deposition followed by heat-treatment

Isa Karimzadeh et al.

RUSSIAN JOURNAL OF ELECTROCHEMISTRY (2015)

添加到收藏夹

Article Multidisciplinary Sciences

Activity of N-coordinated multi-metal-atom active site structures for Pt-free oxygen reduction reaction catalysis: Role of *OH ligands

Edward F. Holby et al.

SCIENTIFIC REPORTS (2015)

添加到收藏夹

Review Chemistry, Multidisciplinary

Nanocrystals from solutions: catalysts

Yuen Wu et al.

CHEMICAL SOCIETY REVIEWS (2014)

添加到收藏夹

Article Chemistry, Physical

La2O3 Doped Carbonaceous Microspheres: A Novel Bifunctional Electrocatalyst for Oxygen Reduction and Evolution Reactions with Ultrahigh Mass Activity

Xiaoxue Zhang et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2014)

添加到收藏夹

Article Optics

Ce3+ 5d-centroid shift and vacuum referred 4f-electron binding energies of all lanthanide impurities in 150 different compounds

Pieter Dorenbos

JOURNAL OF LUMINESCENCE (2013)

添加到收藏夹

Article Chemistry, Multidisciplinary

Facile Synthesis of Surfactant-Free Au Cluster/Graphene Hybrids for High-Performance Oxygen Reduction Reaction

Huajie Yin et al.

ACS NANO (2012)

添加到收藏夹

Article Chemistry, Physical

Density-functional global optimization of (La2O3)n clusters

Xun-Lei Ding et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

Organic-Free and Selectively Oriented Recrystallization for Design of Natisite Microstructures

Stanislav Ferdov

CRYSTAL GROWTH & DESIGN (2011)

添加到收藏夹

Article Chemistry, Physical

Template-free synthesis, growth mechanism and photoluminescent properties of Ln(OH)3 and Ln2O3 nanorods (Ln: lanthanide ion)

Tian Xia et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2010)

添加到收藏夹

Article Chemistry, Physical

Wetting of paracetamol surfaces studied by DMol3-COSMO calculations

T. Todorova et al.

MOLECULAR SIMULATION (2008)

添加到收藏夹

Article Multidisciplinary Sciences

Activity of CeOx and TiOx nanoparticles grown on Au(111) in the water-gas shift reaction

J. A. Rodriguez et al.

SCIENCE (2007)

添加到收藏夹

Article Materials Science, Multidisciplinary

Hardness conserving semilocal pseudopotentials

B Delley

PHYSICAL REVIEW B (2002)

添加到收藏夹

Article Chemistry, Physical

From molecules to solids with the DMol3 approach

B Delley

JOURNAL OF CHEMICAL PHYSICS (2000)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.