Theoretical understandings of graphene-based metal single-atom catalysts: stability and catalytic performance
Research on heterogeneous single-atom catalysts (SACs) has become an emerging frontier
in catalysis science because of their advantages in high utilization of noble metals, precisely …
in catalysis science because of their advantages in high utilization of noble metals, precisely …
Single-atom catalysts: from design to application
N Cheng, L Zhang, K Doyle-Davis, X Sun - Electrochemical Energy …, 2019 - Springer
Single-atom catalysis is a powerful and attractive technique with exceptional performance,
drastic cost reduction and notable catalytic activity and selectivity. In single-atom catalysis …
drastic cost reduction and notable catalytic activity and selectivity. In single-atom catalysis …
Biochar's role in mitigating soil nitrous oxide emissions: A review and meta-analysis
More than two thirds of global nitrous oxide (N 2 O) emissions originate from soil, mainly
associated with the extensive use of nitrogen (N) fertilizers in agriculture. Although the …
associated with the extensive use of nitrogen (N) fertilizers in agriculture. Although the …
Graphene-related nanomaterials: tuning properties by functionalization
In this review, we discuss the most recent progress on graphene-related nanomaterials,
including doped graphene and derived graphene nanoribbons, graphene oxide, graphane …
including doped graphene and derived graphene nanoribbons, graphene oxide, graphane …
Metal nanoparticles supported on two-dimensional graphenes as heterogeneous catalysts
S Navalon, A Dhakshinamoorthy, M Alvaro… - Coordination Chemistry …, 2016 - Elsevier
The catalytic activity of metal nanoparticles (MNPs) is highly dependent on the nature of the
support. In addition to the role of particle size stabilization in decreasing the spontaneous …
support. In addition to the role of particle size stabilization in decreasing the spontaneous …
Fe-doped graphene nanosheet as an adsorption platform of harmful gas molecules (CO, CO2, SO2 and H2S), and the co-adsorption in O2 environments
D Cortés-Arriagada, N Villegas-Escobar… - Applied Surface …, 2018 - Elsevier
The adsorption of pollutant gases (CO, CO 2, SO 2 and H 2 S) onto Fe-doped graphene
nanosheets (FeG) is studied on the basis of density functional theory calculations at the …
nanosheets (FeG) is studied on the basis of density functional theory calculations at the …
First-principles investigations of metal (Cu, Ag, Au, Pt, Rh, Pd, Fe, Co, and Ir) doped hexagonal boron nitride nanosheets: stability and catalysis of CO oxidation
By means of first-principles computation, metal (Cu, Ag, Au, Pt, Rh, Pd, Fe, Co, and Ir) doped
hexagonal boron nitride nanosheets (h-BNNSs) have been systematically investigated. The …
hexagonal boron nitride nanosheets (h-BNNSs) have been systematically investigated. The …
Exploration of High-Performance Single-Atom Catalysts on Support M1/FeOx for CO Oxidation via Computational Study
Inspired by the recently discovered highly active CO oxidation catalyst Pt1/FeO x [Qiao, B.;
Wang, A.; Yang, X.; Allard, LF; Jiang, Z.; Cui, Y.; Liu, J.; Li, J.; Zhang, T. Nat. Chem. 2011, 3 …
Wang, A.; Yang, X.; Allard, LF; Jiang, Z.; Cui, Y.; Liu, J.; Li, J.; Zhang, T. Nat. Chem. 2011, 3 …
Mechanistic insights into catalytic reduction of N2O by CO over Cu-embedded graphene: a density functional theory perspective
A Akça, O Karaman, C Karaman - ECS Journal of Solid State …, 2021 - iopscience.iop.org
In this study, the mechanism of N 2 O reduction by CO over Cu-embedded graphene (CuG)
surface was examined through Density Functional Theory (DFT) with Grimme-D2 dispersion …
surface was examined through Density Functional Theory (DFT) with Grimme-D2 dispersion …
Graphene oxide functionalized with ethylenediamine triacetic acid for heavy metal adsorption and anti-microbial applications
The development of functionalized nanomaterials that leads to multi-functionality, such as
the ability to adsorb heavy metals coupled with anti-microbial properties is very attractive for …
the ability to adsorb heavy metals coupled with anti-microbial properties is very attractive for …