Highly active biochar has great application potential in heterogeneous catalysis and adsorptive processes. The complexity of carbonization process makes it difficult to construct target active sites. This work put forward a reactive descriptor based on pyrolysis parameters and intrinsic composition of biomass. Results show that the model showed better predictive performance for C-C/C=C (R = 0.85), C=O (R = 0.85) and defect (R = 0.91) sites. The SHapley Additive exPlanation analysis shows that the pyrolysis parameters and the higher heating values are equally important for the active sites. The predictive performance and guiding role of the descriptor were validated by experiments. The descriptors proposed in this study integrated significant advantages of simplicity and easy accessibility, which would break the bottleneck of accurate construction of active sites and provide a theoretical basis for high-value resource utilization of biomass.
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http://dx.doi.org/10.1016/j.biortech.2024.131156 | DOI Listing |
Scand J Med Sci Sports
January 2025
Department of Sports Science and Clinical Biomechanics, University of Southern Denmark, Odense, Denmark.
Physical activity (PA) reduces the risk of negative mental and physical health outcomes in older adults. Traditionally, PA intensity is classified using METs, with 1 MET equal to 3.5 mL O·min·kg.
View Article and Find Full Text PDFNat Commun
January 2025
Inorganic Chemistry and Catalysis, Debye Institute for Nanomaterials Science and Institute for Sustainable and Circular Chemistry, Faculty of Science, Utrecht University, Utrecht, The Netherlands.
Electrochemical reduction of carbon dioxide (CO) into sustainable fuels and base chemicals requires precise control over and understanding of activity, selectivity and stability descriptors of the electrocatalyst under operation. Identification of the active phase under working conditions, but also deactivation factors after prolonged operation, are of the utmost importance to further improve electrocatalysts for electrochemical CO conversion. Here, we present a multiscale in situ investigation of activation and deactivation pathways of oxide-derived copper electrocatalysts under CO reduction conditions.
View Article and Find Full Text PDFStructure
January 2025
Department of Computational Chemistry, Lund University, Chemical Centre, P.O. Box 124, 221 00 Lund, Sweden; European Spallation Source ESS ERIC, P.O. Box 176, 221 00 Lund, Sweden. Electronic address:
Lysozyme is a model system for crystallographers. In this issue of Structure, Ramos et al. report atomic resolution neutron structures of lysozyme, which unambiguously show the protonation states and hydrogen-bonding networks of the active site.
View Article and Find Full Text PDFJ Colloid Interface Sci
December 2024
Laboratory of Alternative Energy Conversion Systems, Department of Mechanical Engineering, School of Engineering, University of Thessaly, Pedion Areos 38834, Greece. Electronic address:
The coupling of carbon dioxide (CO) with epoxides to produce cyclic carbonates is a desirable decarbonization approach, but its commercial applicability is still restricted by the costly catalysts required, as well as the need for high temperature and high pressure. Herein, oxygen vacancy-rich defective tungsten oxide (WO) rich in Lewis acid sites was modified by Prussian blue (PB), and the obtained composite reaches up to 94 % styrene carbonate yield (171 mmol gh) at ambient temperature and pressure, exhibiting outstanding advantages in the photocatalytic CO cycloaddition reaction compared with currently reported photocatalysts. It is found that the introduction of PB with photothermal properties significantly enhances the capability of WO to absorb and activate CO and epoxide, along with its light utilization ability.
View Article and Find Full Text PDFWater Res
December 2024
Jiangsu Key Laboratory of New Power Batteries, Jiangsu Collaborative Innovation Center of Biomedical Functional Materials, School of Chemistry and Materials Science, Nanjing Normal University, Nanjing 210023, China. Electronic address:
Activation of HO cleavage for H* production by defect engineering eliminates the insufficient supply of protons in the NORR process under neutral conditions. However, it remains challenging to precisely control the defect formation for optimizing the equilibrium between H* production and H* binding. Here, we propose a strategy to boost defect generation through S-doping induced NiFe-LDH lattice distortion, and successfully optimize the balance of H* production and binding.
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