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Double-walled Al-based MOF with large microporous specific surface area for trace benzene adsorption
Double-walled metal-organic frameworks (MOFs), synthesized using Zn and Co, are potential porous materials for trace benzene adsorption. Aluminum is...
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Regulated adsorption sites using atomically single cluster over biochar for efficient elemental mercury uptake
Carbon-based materials have been widely used in gaseous pollutant removal because of their sufficient surface functional groups; however, its removal...
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First-principles study on methane storage properties of porous graphene modified with Mn
Porous graphene (PG) has a promising future for gas storage owing to its unique pore characteristics and large specific surface area. The adsorption...
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Electrochemical performance evaluation of pine sawdust derived carbons by incorporating with Mn, Mn–Fe or Mn–Ni oxides
The hybrid electrode material of transition metal oxide/carbon has good potential for the remarkable performance of supercapacitors. Here pine...
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Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts
Single-atom alloys have recently emerged as highly active and selective alloy catalysts. Unlike pure metals, single-atom alloys escape the...
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Multifunctional design of single-atom catalysts for multistep reactions
With the merits of high atom utilization, low cost, unique and tunable microstructures, as well as the particular catalytic behaviors, single-atom...
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Microenvironment regulation of M-N-C single-atom catalysts towards oxygen reduction reaction
The development of cost-effective, robust, and durable electrocatalysts to replace the expensive Pt-based catalysts towards oxygen reduction reaction...
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Adsorption and decomposition mechanism of N2O molecule over MC23 (M = Ru, Mn, V, Pd, and Rh) nanoclusters: A comparative DFT investigation
The adsorption and decomposition of N 2 O molecule over the surface of the MC 23 clusters (M = Ru, Mn, V, Rh, and Pd) clusters were investigated using...
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Investigation of Gas Adsorption Properties Between CrB and SF6 Decompositions: A Theoretical Study
CrB, as a new type of two-dimensional material, possesses both high conductivity, large specific surface area, and high activity similar to MXenes,... -
Oxygen-Coordinated Single Mn Sites for Efficient Electrocatalytic Nitrate Reduction to Ammonia
Electrocatalytic nitrate reduction reaction has attracted increasing attention due to its goal of low carbon emission and environmental protection....
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Adsorption of gas molecules (CO, CO\({_{2}}\), NO, NO\({_{2}}\), and CH\({_{4}}\)) on undoped and Ag-doped bismuth ferrite oxide (BFO) by DFT investigation
AbstractBismuth ferrite oxide (BFO) has enormous potential in nanoelectronics. BFO is a potential structure for the detection of hazardous gas...
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Sp/sp2 carbon ratio-driven high-throughput screening of electrocatalytic nitrogen reduction performance on transition metal single-atom catalysts
Single-atom catalysts (SACs) have been widely utilized in electrochemical nitrogen reduction reactions (NRR) due to their high atomic utilization and...
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Influence of O2 Adsorption on Ferromagnetism of Fe- and Mn-Doped SrTiO3 (001) Surfaces with Oxygen Vacancy
We investigated the magnetic mechanism of Fe-/Mn-doped SrTiO 3 (STO) (001) surface with oxygen vacancy and the change of their ferromagnetism after...
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3.7.1 CO and N2 adsorption on metal surfaces - Tables
This document is part of Part 4 'Adsorbate Species on Surfaces and Adsorbate-Induced Surface Core Level Shifts' of Subvolume A 'Adsorbate Layers on... -
Effective Electrochemical Nitrogen Reduction through π Back-donation Process in Mn3+ of Mn-doped g-C3N4
Ammonia (NH 3 ) synthesis via nitrogen reduction reaction under mild conditions is challenging due to the difficulty of activating nitrogen. Herein,...
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Progress and Outlook of Carbon-supported Single-atom Electrocatalyst for Oxygen Reduction Reaction
Single-atom catalysts (SACs) have garnered extensive attention in the field of catalysis due to their exceptional inherent reaction activity, optimal...
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First-principles study of H2 adsorption mechanism on defective MoSe2/graphene heterostructures
Recently, as a promising energy carrier, hydrogen attracted intensive research interest. In the present work, the spin-polarized density-functional...
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H-Mg Bond Weakening Mechanism of Graphene-Based Single-Atom Catalysts on MgH2(110) Surface
Solid-state hydrogen storage is gradually becoming an effective way for the large-scale storage and transportation of hydrogen energy. Magnesium... -
Emerging single-atom nanozymes for catalytic biomedical uses
The past four years have witnessed booming progress in single-atom nanozymes (SANs), one of the newest generations of nanozymes with atomically...
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Performance Regulation of Single-Atom Catalyst by Modulating the Microenvironment of Metal Sites
Metal-based catalysts, encompassing both homogeneous and heterogeneous types, play a vital role in the modern chemical industry. Heterogeneous...