Junqi Wang
Current Organizations / Institutes
The organizations/institutes from the scholar's latest article
Junqi Wang has a total of 51 co-authors. Here are the top co-authors by number of shared publications:
Jingjing Ma
6 shared publications- Tingting Zhou
School of Human Settlements and Civil Engineering, Xi’an Jiaotong University, Xi’an 710049, China
5 shared publications Xiangjun Liu
5 shared publications- Guang Hu
School of Nuclear Science and Technology, Xi’an Jiaotong University, Xi’an 710049, China
4 shared publications - Hu Li
State Key Laboratory of Green Pesticides State‐Local Joint Laboratory For Comprehensive Utilization of Biomass Center For R&D of Fine Chemicals Guizhou University Guiyang China
4 shared publications - Jing Tang
School of Human Settlements and Civil Engineering, Xi’an Jiaotong University, Xi’an 710049, China
4 shared publications
Latest Publications
- Open Access
- 27 October 2026
- Published by MDPI AG in Nanomaterials
- Vol. 16 (21) , 1372
Irradiation-Induced Defects and Functional Regulation in Metallic Materials: A Review
Irradiation has long been regarded as a major source of degradation in metallic materials because energetic particles continuously generate irradiation-induced defects that lead to hardening, embrittlement, swelling and creep. Beyond its detrimental effects, irradiation has long been employed to modify material microstructures and properties. More recently, increasing attention has been directed toward understanding and deliberately controlling irradiation-induced defect evolution to regulate material properties within a broader defect-engineering framework. This review systematically summarizes the fundamental damage mechanisms induced by irradiation in metallic materials, with particular emphasis on irradiation hardening, embrittlement, swelling and creep. Subsequently, advances in the functional utilization of irradiation-induced defects are reviewed from three perspectives: structural modification and mechanical property enhancement, irradiation-regulated magnetic properties, and surface and interface functionalization. Representative studies demonstrate that irradiation can effectively induce nanocrystallization, refine microstructures, regulate magnetic anisotropy and Curie temperature, and improve corrosion resistance, wear resistance and biocompatibility through controllable defect engineering. Finally, the remaining challenges associated with defect controllability, quantitative structure–property relationships and engineering implementation are discussed, together with future opportunities enabled by advanced characterization, multiscale modeling and intelligent materials design. This review highlights the dual role of irradiation as both a source of material degradation and a versatile tool for microstructural and functional regulation, providing useful guidance for the development of next-generation structural and functional metallic materials for applications in nuclear energy, aerospace, biomedical engineering and advanced manufacturing.
- 27 October 2026
- Published by MDPI AG in Nanomaterials
- Vol. 16 (21) , 1372
Open AccessIrradiation-Induced Defects and Functional Regulation in Metallic Materials: A Review
Irradiation has long been regarded as a major source of degradation in metallic materials because energetic particles continuously generate irradiation-induced defects that lead to hardening, embrittlement, swelling and creep. Beyond its detrimental effects, irradiation has long been employed to modify material microstructures and properties. More recently, increasing attention has been directed toward understanding and deliberately controlling irradiation-induced defect evolution to regulate material properties within a broader defect-engineering framework. This review systematically summarizes the fundamental damage mechanisms induced by irradiation in metallic materials, with particular emphasis on irradiation hardening, embrittlement, swelling and creep. Subsequently, advances in the functional utilization of irradiation-induced defects are reviewed from three perspectives: structural modification and mechanical property enhancement, irradiation-regulated magnetic properties, and surface and interface functionalization. Representative studies demonstrate that irradiation can effectively induce nanocrystallization, refine microstructures, regulate magnetic anisotropy and Curie temperature, and improve corrosion resistance, wear resistance and biocompatibility through controllable defect engineering. Finally, the remaining challenges associated with defect controllability, quantitative structure–property relationships and engineering implementation are discussed, together with future opportunities enabled by advanced characterization, multiscale modeling and intelligent materials design. This review highlights the dual role of irradiation as both a source of material degradation and a versatile tool for microstructural and functional regulation, providing useful guidance for the development of next-generation structural and functional metallic materials for applications in nuclear energy, aerospace, biomedical engineering and advanced manufacturing.
- Open Access
- 21 October 2026
- Published by MDPI AG in Nanomaterials
- Vol. 16 (20) , 1332
A Review of Metal Oxide-Based Materials for U(VI) Sequestration from Aqueous Media
Uranium contamination in aquatic environments has raised increasing concerns because of its chemical toxicity and radioactivity, creating a persistent demand for efficient uranium sequestration and recovery technologies. Metal oxides have attracted considerable attention as materials for U(VI) sequestration owing to their chemical stability, tunable structures, and abundant reactive surface sites. This review systematically summarizes the fundamental chemistry and recent development of metal oxide-based materials for U(VI) sequestration from aqueous environments. The aqueous speciation of U(VI), surface chemistry of metal oxides, and major interfacial interactions governing uranium retention are first discussed. Representative materials, including iron oxides (FeOx), titanium oxides (TiO2), aluminum oxides (Al2O3), manganese oxides (MnOx), zirconium oxide (ZrO2), cerium oxide (CeO2), magnesium oxide (MgO), zinc oxide (ZnO), and mixed-metal oxide systems, are then reviewed with emphasis on their structural characteristics, uranium retention performance, modification strategies, and immobilization mechanisms. Current evidence demonstrates that U(VI) sequestration is strongly governed by the nature and accessibility of surface hydroxyl and metal–oxygen sites, which can be further regulated through structural modification, surface functionalization, defect engineering, and the construction of mixed-metal oxide systems. This review provides a systematic understanding of the relationships among oxide composition, surface structure, interfacial chemistry, and U(VI) sequestration behavior, offering guidance for the rational design of advanced metal oxide-based uranium sequestration materials.
- 21 October 2026
- Published by MDPI AG in Nanomaterials
- Vol. 16 (20) , 1332
Open AccessA Review of Metal Oxide-Based Materials for U(VI) Sequestration from Aqueous Media
Uranium contamination in aquatic environments has raised increasing concerns because of its chemical toxicity and radioactivity, creating a persistent demand for efficient uranium sequestration and recovery technologies. Metal oxides have attracted considerable attention as materials for U(VI) sequestration owing to their chemical stability, tunable structures, and abundant reactive surface sites. This review systematically summarizes the fundamental chemistry and recent development of metal oxide-based materials for U(VI) sequestration from aqueous environments. The aqueous speciation of U(VI), surface chemistry of metal oxides, and major interfacial interactions governing uranium retention are first discussed. Representative materials, including iron oxides (FeOx), titanium oxides (TiO2), aluminum oxides (Al2O3), manganese oxides (MnOx), zirconium oxide (ZrO2), cerium oxide (CeO2), magnesium oxide (MgO), zinc oxide (ZnO), and mixed-metal oxide systems, are then reviewed with emphasis on their structural characteristics, uranium retention performance, modification strategies, and immobilization mechanisms. Current evidence demonstrates that U(VI) sequestration is strongly governed by the nature and accessibility of surface hydroxyl and metal–oxygen sites, which can be further regulated through structural modification, surface functionalization, defect engineering, and the construction of mixed-metal oxide systems. This review provides a systematic understanding of the relationships among oxide composition, surface structure, interfacial chemistry, and U(VI) sequestration behavior, offering guidance for the rational design of advanced metal oxide-based uranium sequestration materials.
- Open Access
- 10 October 2026
- Published by MDPI AG in Nanomaterials
- Vol. 16 (20) , 1286
Effects of Gamma Irradiation and Heat Treatment on the ATR-FTIR Response and Shore A Hardness of Silicone Rubber-Based Composites
Silicone rubber (SR) composites are candidate radiation-shielding materials, but their irradiation and annealing responses remain incompletely understood. Three predefined formulations containing boron carbide (B4C), lead (Pb)/B4C, or Pb were exposed to 100 kGy gamma irradiation in air and then annealed under nitrogen at 60–120 °C for 30–240 min. Attenuated total reflectance Fourier-transform infrared (ATR-FTIR) spectra retained the same characteristic band positions after irradiation, although their normalized band areas changed. Shore A hardness increased after irradiation in all formulations and remained above the corresponding pre-irradiation values after annealing. Electron paramagnetic resonance (EPR) spectra of the SR-B4C formulation varied qualitatively with the annealing conditions, but absolute radical quantification and assignment of a unique reaction pathway were not possible. Because filler identity, filler loading, and silicone content varied simultaneously, differences among the formulations cannot be independently attributed to Pb, B4C, or filler–matrix interactions. Based on one independently prepared parent specimen per formulation, these results describe irradiation and annealing responses in composites with micrometer-sized fillers. They may inform future comparisons with silicone-based shielding nanocomposites under matched compositions and treatment conditions.
- 10 October 2026
- Published by MDPI AG in Nanomaterials
- Vol. 16 (20) , 1286
Open AccessEffects of Gamma Irradiation and Heat Treatment on the ATR-FTIR Response and Shore A Hardness of Silicone Rubber-Based Composites
Silicone rubber (SR) composites are candidate radiation-shielding materials, but their irradiation and annealing responses remain incompletely understood. Three predefined formulations containing boron carbide (B4C), lead (Pb)/B4C, or Pb were exposed to 100 kGy gamma irradiation in air and then annealed under nitrogen at 60–120 °C for 30–240 min. Attenuated total reflectance Fourier-transform infrared (ATR-FTIR) spectra retained the same characteristic band positions after irradiation, although their normalized band areas changed. Shore A hardness increased after irradiation in all formulations and remained above the corresponding pre-irradiation values after annealing. Electron paramagnetic resonance (EPR) spectra of the SR-B4C formulation varied qualitatively with the annealing conditions, but absolute radical quantification and assignment of a unique reaction pathway were not possible. Because filler identity, filler loading, and silicone content varied simultaneously, differences among the formulations cannot be independently attributed to Pb, B4C, or filler–matrix interactions. Based on one independently prepared parent specimen per formulation, these results describe irradiation and annealing responses in composites with micrometer-sized fillers. They may inform future comparisons with silicone-based shielding nanocomposites under matched compositions and treatment conditions.
- 26 September 2026
- Published by Wiley in Angewandte Chemie
Inter‐Cage Na + Enabling Single‐Atom Co for In Situ Delivery of Bio‐Based Vinyl Backbone to Access 3,4‐Unsubstituted Quinolines
The multi‐step access to versatile N‐heterocyclic scaffolds is highly dependent on non‐renewable fossil‐based feedstock over different catalysts for each step. Here, a mesoporous NaY zeolite‐encapsulated atomically dispersed cobalt catalyst (Co@NaY‐M) is deliberately designed to be robust for single‐step, three‐component upgrading of biomass‐derived lactic acid, aldehydes, and anilines into 3,4‐unsubstituted quinolines via cascade dehydrogenation, annulation–aromatization, and decarboxylation. Na + co‐dopant in zeolitic hexagonal prism adjacent to single‐atom Co in the supercage acts as an electron promoter to pull electrons from Co. The electron‐deficient Co improves formed intermediate adsorption/activation, significantly declining energy barriers in cascade lactic‐acid‐to‐vinyl‐intermediate dehydrogenation, and 4‐substituted quinoline decarboxylation. Meanwhile, the presence of Na + strengthens interactions between Co and zeolitic carrier to improve the single‐atom stability. Co@NaY‐M has broad substrate scope for various 3,4‐unsubstituted quinolines with good compatibility to diverse functional groups in yields reaching 98% (>80 examples) and can be scaled up (11.24 g). Importantly, the developed methodology enables direct synthesis of various clinical drugs. Life‐cycle/techno‐economic investigations indicate that this protocol markedly lessens environmental footprints and is more price‐competitive compared to conventional quinoline synthesis methods. The precise modulation of neighboring zeolitic sites provides an effective avenue to directly access high‐value nitrogenous heterocycles from abundant renewables via oriented multiple reactions.
- 26 September 2026
- Published by Wiley in Angewandte Chemie
Inter‐Cage Na + Enabling Single‐Atom Co for In Situ Delivery of Bio‐Based Vinyl Backbone to Access 3,4‐Unsubstituted Quinolines
The multi‐step access to versatile N‐heterocyclic scaffolds is highly dependent on non‐renewable fossil‐based feedstock over different catalysts for each step. Here, a mesoporous NaY zeolite‐encapsulated atomically dispersed cobalt catalyst (Co@NaY‐M) is deliberately designed to be robust for single‐step, three‐component upgrading of biomass‐derived lactic acid, aldehydes, and anilines into 3,4‐unsubstituted quinolines via cascade dehydrogenation, annulation–aromatization, and decarboxylation. Na + co‐dopant in zeolitic hexagonal prism adjacent to single‐atom Co in the supercage acts as an electron promoter to pull electrons from Co. The electron‐deficient Co improves formed intermediate adsorption/activation, significantly declining energy barriers in cascade lactic‐acid‐to‐vinyl‐intermediate dehydrogenation, and 4‐substituted quinoline decarboxylation. Meanwhile, the presence of Na + strengthens interactions between Co and zeolitic carrier to improve the single‐atom stability. Co@NaY‐M has broad substrate scope for various 3,4‐unsubstituted quinolines with good compatibility to diverse functional groups in yields reaching 98% (>80 examples) and can be scaled up (11.24 g). Importantly, the developed methodology enables direct synthesis of various clinical drugs. Life‐cycle/techno‐economic investigations indicate that this protocol markedly lessens environmental footprints and is more price‐competitive compared to conventional quinoline synthesis methods. The precise modulation of neighboring zeolitic sites provides an effective avenue to directly access high‐value nitrogenous heterocycles from abundant renewables via oriented multiple reactions.
- 26 September 2026
- Published by Wiley in Angewandte Chemie International Edition
Inter‐Cage Na + Enabling Single‐Atom Co for In Situ Delivery of Bio‐Based Vinyl Backbone to Access 3,4‐Unsubstituted Quinolines
The multi‐step access to versatile N‐heterocyclic scaffolds is highly dependent on non‐renewable fossil‐based feedstock over different catalysts for each step. Here, a mesoporous NaY zeolite‐encapsulated atomically dispersed cobalt catalyst (Co@NaY‐M) is deliberately designed to be robust for single‐step, three‐component upgrading of biomass‐derived lactic acid, aldehydes, and anilines into 3,4‐unsubstituted quinolines via cascade dehydrogenation, annulation–aromatization, and decarboxylation. Na + co‐dopant in zeolitic hexagonal prism adjacent to single‐atom Co in the supercage acts as an electron promoter to pull electrons from Co. The electron‐deficient Co improves formed intermediate adsorption/activation, significantly declining energy barriers in cascade lactic‐acid‐to‐vinyl‐intermediate dehydrogenation, and 4‐substituted quinoline decarboxylation. Meanwhile, the presence of Na + strengthens interactions between Co and zeolitic carrier to improve the single‐atom stability. Co@NaY‐M has broad substrate scope for various 3,4‐unsubstituted quinolines with good compatibility to diverse functional groups in yields reaching 98% (>80 examples) and can be scaled up (11.24 g). Importantly, the developed methodology enables direct synthesis of various clinical drugs. Life‐cycle/techno‐economic investigations indicate that this protocol markedly lessens environmental footprints and is more price‐competitive compared to conventional quinoline synthesis methods. The precise modulation of neighboring zeolitic sites provides an effective avenue to directly access high‐value nitrogenous heterocycles from abundant renewables via oriented multiple reactions.
- 26 September 2026
- Published by Wiley in Angewandte Chemie International Edition
Inter‐Cage Na + Enabling Single‐Atom Co for In Situ Delivery of Bio‐Based Vinyl Backbone to Access 3,4‐Unsubstituted Quinolines
The multi‐step access to versatile N‐heterocyclic scaffolds is highly dependent on non‐renewable fossil‐based feedstock over different catalysts for each step. Here, a mesoporous NaY zeolite‐encapsulated atomically dispersed cobalt catalyst (Co@NaY‐M) is deliberately designed to be robust for single‐step, three‐component upgrading of biomass‐derived lactic acid, aldehydes, and anilines into 3,4‐unsubstituted quinolines via cascade dehydrogenation, annulation–aromatization, and decarboxylation. Na + co‐dopant in zeolitic hexagonal prism adjacent to single‐atom Co in the supercage acts as an electron promoter to pull electrons from Co. The electron‐deficient Co improves formed intermediate adsorption/activation, significantly declining energy barriers in cascade lactic‐acid‐to‐vinyl‐intermediate dehydrogenation, and 4‐substituted quinoline decarboxylation. Meanwhile, the presence of Na + strengthens interactions between Co and zeolitic carrier to improve the single‐atom stability. Co@NaY‐M has broad substrate scope for various 3,4‐unsubstituted quinolines with good compatibility to diverse functional groups in yields reaching 98% (>80 examples) and can be scaled up (11.24 g). Importantly, the developed methodology enables direct synthesis of various clinical drugs. Life‐cycle/techno‐economic investigations indicate that this protocol markedly lessens environmental footprints and is more price‐competitive compared to conventional quinoline synthesis methods. The precise modulation of neighboring zeolitic sites provides an effective avenue to directly access high‐value nitrogenous heterocycles from abundant renewables via oriented multiple reactions.
- Open Access
- 11 September 2026
- Published by MDPI AG in Nanomaterials
- Vol. 16 (18) , 1143
Irradiation-Induced Structural Evolution and Functional Applications of Carbon-Based Materials: A Review
Carbon-based materials exhibit diverse structural responses to irradiation owing to their distinct dimensionality, degree of graphitization, surface chemistry, and pore architecture. Although irradiation has traditionally been regarded as a source of structural damage, increasing evidence demonstrates that controlled irradiation can be deliberately utilized to tailor defects, surfaces, interfaces, and pore structures, thereby enabling desirable functional properties. This review summarizes recent progress in the irradiation-induced structural evolution and functional applications of four representative carbon-based materials, including graphene-based materials, carbon nanotubes, carbon fibers, and activated carbon/biochar. Particular attention is given to the characteristic irradiation responses of different carbon architectures. In graphene, irradiation predominantly induces vacancies, reconstructed defects, and surface functionalization, providing active sites for environmental remediation. Carbon nanotubes additionally undergo inter-tube cross-linking and welding, enabling enhanced mechanical performance and tunable electronic properties. For carbon fibers, irradiation mainly regulates surface chemistry and fiber matrix interactions, facilitating interface engineering in high-performance composites. In activated carbon and biochar, irradiation modifies pore accessibility, structural disorder, and surface functional groups, thereby influencing adsorption and electrochemical performance. These distinct responses demonstrate that irradiation can evolve from a conventional damage process into a controllable materials-engineering strategy when appropriate irradiation conditions are employed. Finally, current challenges associated with optimal irradiation conditions, quantitative defect identification, and irradiation structure–property relationships are discussed. Based on these distinct responses, we propose an architecture-dependent irradiation–structure–function (A-ISF) framework that links the initial carbon architecture and irradiation conditions to dominant energy-deposition mechanisms, structural evolution pathways, property modulation, and ultimately functional applications. Within this framework, irradiation engineering is interpreted as a competition between beneficial structural modification and excessive radiation damage, giving rise to an application-dependent optimal irradiation window.
- 11 September 2026
- Published by MDPI AG in Nanomaterials
- Vol. 16 (18) , 1143
Open AccessIrradiation-Induced Structural Evolution and Functional Applications of Carbon-Based Materials: A Review
Carbon-based materials exhibit diverse structural responses to irradiation owing to their distinct dimensionality, degree of graphitization, surface chemistry, and pore architecture. Although irradiation has traditionally been regarded as a source of structural damage, increasing evidence demonstrates that controlled irradiation can be deliberately utilized to tailor defects, surfaces, interfaces, and pore structures, thereby enabling desirable functional properties. This review summarizes recent progress in the irradiation-induced structural evolution and functional applications of four representative carbon-based materials, including graphene-based materials, carbon nanotubes, carbon fibers, and activated carbon/biochar. Particular attention is given to the characteristic irradiation responses of different carbon architectures. In graphene, irradiation predominantly induces vacancies, reconstructed defects, and surface functionalization, providing active sites for environmental remediation. Carbon nanotubes additionally undergo inter-tube cross-linking and welding, enabling enhanced mechanical performance and tunable electronic properties. For carbon fibers, irradiation mainly regulates surface chemistry and fiber matrix interactions, facilitating interface engineering in high-performance composites. In activated carbon and biochar, irradiation modifies pore accessibility, structural disorder, and surface functional groups, thereby influencing adsorption and electrochemical performance. These distinct responses demonstrate that irradiation can evolve from a conventional damage process into a controllable materials-engineering strategy when appropriate irradiation conditions are employed. Finally, current challenges associated with optimal irradiation conditions, quantitative defect identification, and irradiation structure–property relationships are discussed. Based on these distinct responses, we propose an architecture-dependent irradiation–structure–function (A-ISF) framework that links the initial carbon architecture and irradiation conditions to dominant energy-deposition mechanisms, structural evolution pathways, property modulation, and ultimately functional applications. Within this framework, irradiation engineering is interpreted as a competition between beneficial structural modification and excessive radiation damage, giving rise to an application-dependent optimal irradiation window.
- Open Access
- 10 August 2026
- Published by MDPI AG in Nanomaterials
- Vol. 16 (16) , 983
Catalytic Performance of AAEM-Loaded Biochars for Regulating Anhydrosugar Formation During Cellulose Pyrolysis
Biochar has attracted increasing attention as a low-cost catalyst for biomass pyrolysis due to its developed pore structure, abundant surface functional groups and tunable physicochemical properties. In this study, biochars loaded with alkali and alkaline earth metal (AAEM) species were prepared by pyrolyzing cellulose impregnated with different chloride and acetate salts, including NaCl, KCl, CaCl2, MgCl2, CH3COONa, CH3COOK, (CH3COO)2Ca and (CH3COO)2Mg. The resulting AAEM-loaded biochars were subsequently employed as catalysts for cellulose pyrolysis to investigate their effects on product distribution, particularly levoglucosan (LG) and levoglucosenone (LGO) formation. SEM and XRD analyses revealed that the AAEM precursor significantly affected the morphology and phase composition of the biochars. Chloride-derived biochars retained crystalline salt phases or formed corresponding metal oxides, whereas acetate-derived biochars exhibited more dispersed metal-containing species. The introduction of AAEM-loaded biochars generally decreased bio-oil and LG yields while increasing char production, indicating enhanced secondary cracking and repolymerization reactions. Among the investigated catalysts, alkali metal-loaded biochars exhibited stronger inhibition toward LG formation than alkaline earth metal-loaded biochars. The catalytic effects followed the order of C-KCl ≈ C-NaCl > C-MgCl2 > C-CaCl2 for chloride-derived biochars and C-CH3COOK ≈ C-CH3COONa > C-(CH3COO)2Mg > C-(CH3COO)2Ca for acetate-derived biochars. Notably, C-(CH3COO)2Ca and C-(CH3COO)2Mg slightly promoted LGO formation, which was attributed to the synergistic effects of alkaline earth metal species, surface oxygen-containing functional groups and acetate-derived intermediates on dehydration reactions. Thermogravimetric and kinetic analyses further demonstrated that AAEM-loaded biochars reduced the apparent activation energy of cellulose pyrolysis and facilitated thermal decomposition. These findings provide new insights into the catalytic role of AAEM-loaded biochars and suggest a promising strategy for regulating anhydrosugar selectivity, particularly for the production of high-value LGO from biomass pyrolysis.
- 10 August 2026
- Published by MDPI AG in Nanomaterials
- Vol. 16 (16) , 983
Open AccessCatalytic Performance of AAEM-Loaded Biochars for Regulating Anhydrosugar Formation During Cellulose Pyrolysis
Biochar has attracted increasing attention as a low-cost catalyst for biomass pyrolysis due to its developed pore structure, abundant surface functional groups and tunable physicochemical properties. In this study, biochars loaded with alkali and alkaline earth metal (AAEM) species were prepared by pyrolyzing cellulose impregnated with different chloride and acetate salts, including NaCl, KCl, CaCl2, MgCl2, CH3COONa, CH3COOK, (CH3COO)2Ca and (CH3COO)2Mg. The resulting AAEM-loaded biochars were subsequently employed as catalysts for cellulose pyrolysis to investigate their effects on product distribution, particularly levoglucosan (LG) and levoglucosenone (LGO) formation. SEM and XRD analyses revealed that the AAEM precursor significantly affected the morphology and phase composition of the biochars. Chloride-derived biochars retained crystalline salt phases or formed corresponding metal oxides, whereas acetate-derived biochars exhibited more dispersed metal-containing species. The introduction of AAEM-loaded biochars generally decreased bio-oil and LG yields while increasing char production, indicating enhanced secondary cracking and repolymerization reactions. Among the investigated catalysts, alkali metal-loaded biochars exhibited stronger inhibition toward LG formation than alkaline earth metal-loaded biochars. The catalytic effects followed the order of C-KCl ≈ C-NaCl > C-MgCl2 > C-CaCl2 for chloride-derived biochars and C-CH3COOK ≈ C-CH3COONa > C-(CH3COO)2Mg > C-(CH3COO)2Ca for acetate-derived biochars. Notably, C-(CH3COO)2Ca and C-(CH3COO)2Mg slightly promoted LGO formation, which was attributed to the synergistic effects of alkaline earth metal species, surface oxygen-containing functional groups and acetate-derived intermediates on dehydration reactions. Thermogravimetric and kinetic analyses further demonstrated that AAEM-loaded biochars reduced the apparent activation energy of cellulose pyrolysis and facilitated thermal decomposition. These findings provide new insights into the catalytic role of AAEM-loaded biochars and suggest a promising strategy for regulating anhydrosugar selectivity, particularly for the production of high-value LGO from biomass pyrolysis.
- Open Access
- 27 June 2026
- Published by MDPI AG in Nanomaterials
- Vol. 16 (13) , 800
Tuning Lewis Acidity in MXene-Supported Single-Atom Catalysts
Regulation of surface acidity is critical for steering reaction pathways in catalytic biomass conversion; however, the modulation of Lewis acidity in MXene-supported single-atom catalysts remains poorly understood. In this work, density functional theory calculations were performed to systematically investigate how surface terminations coupled with metal identity govern the Lewis acidity of single-atom sites on Ti3C2-based MXenes. Two representative terminations (-O and -OH) were considered, and various metal atoms were anchored to construct single-atom catalysts. Formation energies were evaluated to assess thermodynamic stability, while NH3 adsorption energies were employed as a descriptor for Lewis acidity. The results reveal a pronounced termination-dependent modulation of acidity. Specifically, -OH termination disfavors single-atom stabilization, whereas -O termination ensures strong anchoring. Electronic structure analysis indicates that enhanced acidity originates from termination-induced electronic polarization and charge redistribution. This work establishes a structure–termination–acidity relationship and provides theoretical guidance for the rational design of MXene-based catalysts with tunable acidity.
- 27 June 2026
- Published by MDPI AG in Nanomaterials
- Vol. 16 (13) , 800
Open AccessTuning Lewis Acidity in MXene-Supported Single-Atom Catalysts
Regulation of surface acidity is critical for steering reaction pathways in catalytic biomass conversion; however, the modulation of Lewis acidity in MXene-supported single-atom catalysts remains poorly understood. In this work, density functional theory calculations were performed to systematically investigate how surface terminations coupled with metal identity govern the Lewis acidity of single-atom sites on Ti3C2-based MXenes. Two representative terminations (-O and -OH) were considered, and various metal atoms were anchored to construct single-atom catalysts. Formation energies were evaluated to assess thermodynamic stability, while NH3 adsorption energies were employed as a descriptor for Lewis acidity. The results reveal a pronounced termination-dependent modulation of acidity. Specifically, -OH termination disfavors single-atom stabilization, whereas -O termination ensures strong anchoring. Electronic structure analysis indicates that enhanced acidity originates from termination-induced electronic polarization and charge redistribution. This work establishes a structure–termination–acidity relationship and provides theoretical guidance for the rational design of MXene-based catalysts with tunable acidity.
- 18 June 2026
- Published by Elsevier in Biomass and Bioenergy
- Vol. 216
Environmental implications of Cd2+ removal by modified biochars
- 18 June 2026
- Published by Elsevier in Biomass and Bioenergy
- Vol. 216
Environmental implications of Cd2+ removal by modified biochars