Photothermal catalytic CO2 hydrogenation is crucial for reducing CO2 emissions. Herein, metallic Ni, known for its excellent photo-thermal and hydrogen dissociation properties, was deposited onto ZnO for this purpose. 5 wt% Ni/ZnO H2-reduced at 400 °C achieved a CO2 conversion of 36.2 % and a CO yield of 16.5 mmol·gcat−1·h−1 under Xe lamp irradiation at 300 °C, demonstrating an 8.9-fold improvement compared to pristine ZnO. XRD, TEM, XPS, H2-TPR, and CO2-TPD analyses revealed that Ni loading above 5 wt% or reduction temperature exceeding 400 °C led to larger Ni particle sizes and decreasing oxygen vacancies, thereby diminishing catalytic activity. UV-Vis DRS, EIS, PL, and DFT studies confirmed that highly dispersed Ni and abundant oxygen vacancies enhanced visible light absorption and prolonged the lifetime of photogenerated charge carriers. These findings highlight the synergy between oxygen vacancies on ZnO and highly dispersed Ni in promoting CO2 adsorption and activation under visible light illumination.
{"title":"Enhanced photothermal catalytic CO2 hydrogenation: Tuning Ni-ZnO by Ni content and reduction conditions","authors":"Xinyu Jia, Wenlong Li, Qiang Zhang, Yagang Zhang, Jia Jia, Zhiwei Shi, Anning Zhou","doi":"10.1016/j.colsurfa.2025.136849","DOIUrl":"10.1016/j.colsurfa.2025.136849","url":null,"abstract":"<div><div>Photothermal catalytic CO<sub>2</sub> hydrogenation is crucial for reducing CO<sub>2</sub> emissions. Herein, metallic Ni, known for its excellent photo-thermal and hydrogen dissociation properties, was deposited onto ZnO for this purpose. 5 wt% Ni/ZnO H<sub>2</sub>-reduced at 400 °C achieved a CO<sub>2</sub> conversion of 36.2 % and a CO yield of 16.5 mmol·g<sub>cat</sub><sup>−1</sup>·h<sup>−1</sup> under Xe lamp irradiation at 300 °C, demonstrating an 8.9-fold improvement compared to pristine ZnO. XRD, TEM, XPS, H<sub>2</sub>-TPR, and CO<sub>2</sub>-TPD analyses revealed that Ni loading above 5 wt% or reduction temperature exceeding 400 °C led to larger Ni particle sizes and decreasing oxygen vacancies, thereby diminishing catalytic activity. UV-Vis DRS, EIS, PL, and DFT studies confirmed that highly dispersed Ni and abundant oxygen vacancies enhanced visible light absorption and prolonged the lifetime of photogenerated charge carriers. These findings highlight the synergy between oxygen vacancies on ZnO and highly dispersed Ni in promoting CO<sub>2</sub> adsorption and activation under visible light illumination.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"718 ","pages":"Article 136849"},"PeriodicalIF":4.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850433","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-11DOI: 10.1016/j.colsurfa.2025.136853
Chengxu Lu, Zhaoshi Yu, Fen Zhao, Jianqiao Zhao, Rongwen Wang, Zhaojun An, Guoli Tu
Efficient electromagnetic wave (EMW) absorption materials represent an effective means to mitigate electromagnetic radiation. Biomass-derived carbon materials have emerged as one of the research hotspots in the field of electromagnetic wave absorption due to their widespread availability, sustainability, and unique natural structures. However, achieving optimal EMW absorption performance is challenging due to the limited dielectric loss sources of single carbon materials. Molybdenum disulfide (MoS2), as a two-dimensional layered transition metal sulfide, exhibits strong interface and defect polarization losses due to its large specific surface area and adjustable lamellar structure. In this study, MoS2-decorated cattail-derived carbon fibers (CCFs) were successfully synthesized through a combination of high-temperature carbonization and hydrothermal reaction. By adjusting the loading amount of MoS2 nanosheets on the surface of CCFs, the optimal MoS2/CCFs-X nanocomposite exhibited minimum reflection loss of −39.1 dB and maximum effective absorption bandwidth of 4.4 GHz with a thickness of 1.7 mm. This work synergistically leverages the advantages of both biomass-derived carbon fibers and MoS2, providing an effective strategy for the manufacture of high-performance EMW absorbing materials with potential for large-scale production.
{"title":"Enhancement of polarization loss through surface modification strategies with MoS2 nanosheets for achieving high-efficiency electromagnetic wave absorption in biomass-derived carbon fibers","authors":"Chengxu Lu, Zhaoshi Yu, Fen Zhao, Jianqiao Zhao, Rongwen Wang, Zhaojun An, Guoli Tu","doi":"10.1016/j.colsurfa.2025.136853","DOIUrl":"10.1016/j.colsurfa.2025.136853","url":null,"abstract":"<div><div>Efficient electromagnetic wave (EMW) absorption materials represent an effective means to mitigate electromagnetic radiation. Biomass-derived carbon materials have emerged as one of the research hotspots in the field of electromagnetic wave absorption due to their widespread availability, sustainability, and unique natural structures. However, achieving optimal EMW absorption performance is challenging due to the limited dielectric loss sources of single carbon materials. Molybdenum disulfide (MoS<sub>2</sub>), as a two-dimensional layered transition metal sulfide, exhibits strong interface and defect polarization losses due to its large specific surface area and adjustable lamellar structure. In this study, MoS<sub>2</sub>-decorated cattail-derived carbon fibers (CCFs) were successfully synthesized through a combination of high-temperature carbonization and hydrothermal reaction. By adjusting the loading amount of MoS<sub>2</sub> nanosheets on the surface of CCFs, the optimal MoS<sub>2</sub>/CCFs-X nanocomposite exhibited minimum reflection loss of −39.1 dB and maximum effective absorption bandwidth of 4.4 GHz with a thickness of 1.7 mm. This work synergistically leverages the advantages of both biomass-derived carbon fibers and MoS<sub>2</sub>, providing an effective strategy for the manufacture of high-performance EMW absorbing materials with potential for large-scale production.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"718 ","pages":"Article 136853"},"PeriodicalIF":4.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143828212","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-11DOI: 10.1016/j.colsurfa.2025.136912
Song Xu , Shaoxu Cai , Xiangjie Nui , Zhilong Cao , Lei Fang , Derun Zhang , Hongyan Ma , Chanlin Zhang
The diglycidyl ether (HDDGE) and dicyclohexylmethane diisocyanate (HMDI) are widely adopted as active rejuvenators in the field of regenerated SBS modified bitumen (RSMB), which can react with the oxygen-containing functional group on the aged SBS, thereby rebuilding the crosslinking net of the SBS. Numerous measurements indicate that HDDGE negatively affects the high-temperature performance of RSMB, while HMDI impairs its low-temperature performance. This unexplained phenomenon continues to impede the effective regeneration of bitumen. To reveal the underlying mechanism of this phenomenon, this study investigates the SBS-bitumen interface inside the RSMB thought the molecular dynamics simulation, and conducts the experiments in the lab to prove the inference. Results indicated that the type and dosage of rejuvenators will affect the H-bonds inside regenerated SBS, which will change the configuration of SBS molecules. Subsequently, the regenerated SBS molecules will redetermine the fractions located at the SBS-bitumen interface thought the space steric hindrance effect and interaction between SBS and bitumen, which will alter the colloid structure of RSMB. This will significantly change the free volume of the RSMB, and will finally affect the macro-properties of RSMB.
{"title":"Action mechanism of different active rejuvenators on the colloid structure of regenerated Styrene-butadiene-Styrene block copolymer modified bitumen: A perspective from Styrene-butadiene-Styrene block copolymer-bitumen interface","authors":"Song Xu , Shaoxu Cai , Xiangjie Nui , Zhilong Cao , Lei Fang , Derun Zhang , Hongyan Ma , Chanlin Zhang","doi":"10.1016/j.colsurfa.2025.136912","DOIUrl":"10.1016/j.colsurfa.2025.136912","url":null,"abstract":"<div><div>The diglycidyl ether (HDDGE) and dicyclohexylmethane diisocyanate (HMDI) are widely adopted as active rejuvenators in the field of regenerated SBS modified bitumen (RSMB), which can react with the oxygen-containing functional group on the aged SBS, thereby rebuilding the crosslinking net of the SBS. Numerous measurements indicate that HDDGE negatively affects the high-temperature performance of RSMB, while HMDI impairs its low-temperature performance. This unexplained phenomenon continues to impede the effective regeneration of bitumen. To reveal the underlying mechanism of this phenomenon, this study investigates the SBS-bitumen interface inside the RSMB thought the molecular dynamics simulation, and conducts the experiments in the lab to prove the inference. Results indicated that the type and dosage of rejuvenators will affect the H-bonds inside regenerated SBS, which will change the configuration of SBS molecules. Subsequently, the regenerated SBS molecules will redetermine the fractions located at the SBS-bitumen interface thought the space steric hindrance effect and interaction between SBS and bitumen, which will alter the colloid structure of RSMB. This will significantly change the free volume of the RSMB, and will finally affect the macro-properties of RSMB.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"718 ","pages":"Article 136912"},"PeriodicalIF":4.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143828214","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-11DOI: 10.1016/j.colsurfa.2025.136917
Daniela Remonatto , Stéphanie R. Amaral , João Francisco C. do Nascimento , Jessyca A.P. Dutra , Marlus Chorilli , Juliana C. Bassan , José Vladimir Oliveira , Josemar G. Oliveira Filho , Luiz H.C. Mattoso , Fernando L. Primo , Ariela V. de Paula
This study aimed to synthesize geranyl acetate (GA) and geranyl cinnamate (GC) by enzymatic esterification using Lipura Flex lipase for the development of nanoemulsions (NE) and evaluate their antimicrobial and antioxidant activities and biocompatibility with fibroblast cells. A 22 factorial central composite rotatable design was used to maximize ester synthesis. For GA synthesis, optimal conditions were 15 % (w/w) Lipura Flex, a 1:3 molar ratio of acetic acid to geraniol, 60 °C, and a reaction time of 1 h, which afforded a relative yield of 99.43 % ± 1.8 % (w/w). For GC synthesis, optimal conditions were 15 % (w/w) Lipura Flex, a 1:5 molar ratio of cinnamic acid to geraniol, 70 °C, and 24 h of reaction, resulting in a relative yield of 100 % ± 1.09 %. NEs were successfully developed. Particle sizes ranged from 70 to 350 nm. NEs remained stable for 30 days. GANE showed higher biocompatibility with fibroblast cells (100 % viability) than non-encapsulated GA (30 % reduction in cell viability). GCNE also demonstrated good biocompatibility, resulting in cell viability values above 90 %. Both NE systems exhibited considerable antioxidant (50 % free radical inhibition) and antimicrobial properties. GANE had greater antimicrobial activity than GCNE, attributed to its smaller droplet size (73.3 nm versus 302.0 nm). These results highlight the potential of ester-loaded nanoemulsions as bioactive materials for innovative applications in pharmaceutical and cosmetic formulations, emphasizing their relevance for future advancements in nanotechnology-driven product development.
{"title":"Geraniol ester loaded-nanoemulsions: Exploring enzymatic synthesis, biocompatibility, antioxidant potential, and antimicrobial activity","authors":"Daniela Remonatto , Stéphanie R. Amaral , João Francisco C. do Nascimento , Jessyca A.P. Dutra , Marlus Chorilli , Juliana C. Bassan , José Vladimir Oliveira , Josemar G. Oliveira Filho , Luiz H.C. Mattoso , Fernando L. Primo , Ariela V. de Paula","doi":"10.1016/j.colsurfa.2025.136917","DOIUrl":"10.1016/j.colsurfa.2025.136917","url":null,"abstract":"<div><div>This study aimed to synthesize geranyl acetate (GA) and geranyl cinnamate (GC) by enzymatic esterification using Lipura Flex lipase for the development of nanoemulsions (NE) and evaluate their antimicrobial and antioxidant activities and biocompatibility with fibroblast cells. A 2<sup>2</sup> factorial central composite rotatable design was used to maximize ester synthesis. For GA synthesis, optimal conditions were 15 % (w/w) Lipura Flex, a 1:3 molar ratio of acetic acid to geraniol, 60 °C, and a reaction time of 1 h, which afforded a relative yield of 99.43 % ± 1.8 % (w/w). For GC synthesis, optimal conditions were 15 % (w/w) Lipura Flex, a 1:5 molar ratio of cinnamic acid to geraniol, 70 °C, and 24 h of reaction, resulting in a relative yield of 100 % ± 1.09 %. NEs were successfully developed. Particle sizes ranged from 70 to 350 nm. NEs remained stable for 30 days. GA<sub>NE</sub> showed higher biocompatibility with fibroblast cells (100 % viability) than non-encapsulated GA (30 % reduction in cell viability). GC<sub>NE</sub> also demonstrated good biocompatibility, resulting in cell viability values above 90 %. Both NE systems exhibited considerable antioxidant (50 % free radical inhibition) and antimicrobial properties. GA<sub>NE</sub> had greater antimicrobial activity than GC<sub>NE</sub>, attributed to its smaller droplet size (73.3 nm versus 302.0 nm). These results highlight the potential of ester-loaded nanoemulsions as bioactive materials for innovative applications in pharmaceutical and cosmetic formulations, emphasizing their relevance for future advancements in nanotechnology-driven product development.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"718 ","pages":"Article 136917"},"PeriodicalIF":4.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143834414","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-11DOI: 10.1016/j.colsurfa.2025.136908
Lili Wang , Nasha Zeng , Jinqi Ye , Keying Zheng , Junyi Lu , Minghua Wu , Huijun Li
Disperse-dye wash-free digital inkjet dyeing, which combines digital jetting technology with disperse-dye wash-free dyeing technology, is a simple process that reduces carbon and pollutant emissions, conserves dyes and chemical materials and delivers a fast response. In this study, based on the principle of solubility parameter, a series of wash-free digital inkjet-dyeing waterborne polyurethane (WPU) which directionally delivered the disperse dyes, were prepared by employing isophorone diisocyanate (IPDI) as the hard monomer, polybutylene adipate (PBA) as the soft segment and polydimethylsiloxane (PDMS) as the modified soft segment. The results showed that the WPU film prepared from 6 wt% PDMS and 42 wt% hard-segment content, exhibited the highest water resistance, mechanical and adhesive properties, and directional dye delivery among the films. The optimal dosage of WPU in the wash-free ink was 6 wt%. Compared with the pure dye ink, the front colour yield of the inkjet-dyed fabrics with WPU wash-free ink reached 16.08 and improved by 18.1 %. The colour fastness to dry/wet rubbing achieved grade 4–5 and grade 3–4, respectively. It demonstrated the good prospects of WPU in wash-free dyeing application. In particular, the approach promises inkjet-dyed polyester fabrics of high surface colour and fastness under no reduction-cleaning/washing procedures.
{"title":"Silicone-modified waterborne polyurethane for wash-free digital inkjet dyeing of polyester fabric with high surface colour and fastness","authors":"Lili Wang , Nasha Zeng , Jinqi Ye , Keying Zheng , Junyi Lu , Minghua Wu , Huijun Li","doi":"10.1016/j.colsurfa.2025.136908","DOIUrl":"10.1016/j.colsurfa.2025.136908","url":null,"abstract":"<div><div>Disperse-dye wash-free digital inkjet dyeing, which combines digital jetting technology with disperse-dye wash-free dyeing technology, is a simple process that reduces carbon and pollutant emissions, conserves dyes and chemical materials and delivers a fast response. In this study, based on the principle of solubility parameter, a series of wash-free digital inkjet-dyeing waterborne polyurethane (WPU) which directionally delivered the disperse dyes, were prepared by employing isophorone diisocyanate (IPDI) as the hard monomer, polybutylene adipate (PBA) as the soft segment and polydimethylsiloxane (PDMS) as the modified soft segment. The results showed that the WPU film prepared from 6 wt% PDMS and 42 wt% hard-segment content, exhibited the highest water resistance, mechanical and adhesive properties, and directional dye delivery among the films. The optimal dosage of WPU in the wash-free ink was 6 wt%. Compared with the pure dye ink, the front colour yield of the inkjet-dyed fabrics with WPU wash-free ink reached 16.08 and improved by 18.1 %. The colour fastness to dry/wet rubbing achieved grade 4–5 and grade 3–4, respectively. It demonstrated the good prospects of WPU in wash-free dyeing application. In particular, the approach promises inkjet-dyed polyester fabrics of high surface colour and fastness under no reduction-cleaning/washing procedures.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"719 ","pages":"Article 136908"},"PeriodicalIF":4.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143863900","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-11DOI: 10.1016/j.colsurfa.2025.136907
Dongyue Guo , Yinghao Wu , Wenjie Zhao
The poor adhesion strength between epoxy resin (EP) and carbon fiber (CF) is the bottleneck that greatly restricts the mechanical performances of carbon fiber reinforced polymers (CFRP) composite coatings. Preparing micro/nano particles on the surface of CF is an attractive strategy to boost the interfacial adhesion strength between CF and EP. However, the uneven and sparse distribution of micro/nano particles on the CFs surface negatively limited the interfacial compatibility between EP and CF, and alleviated the mechanical performances of CFRP composite materials. Therefore, in this work, we constructed a layer of ZnO seed on the surface of CFs via a hydrothermal method firstly, followed by the in-situ growth of ZnO nanolayers with needle-like structures, and further chemically grafting with active amino functional groups to boost the interfacial compatibility between CF and EP. Compared to the oxidized carbon fiber/EP composite coating (CFO@EP) and the in-situ growth of ZnO micro/nano structured carbon fiber composite coating (ZnO/CF@EP), the wear rate of AS-ZnO/CF@EP coating was significantly reduced by 53.28 % and 39.44 %, and the erosion mass were reduced by 19.38 % and 14.75 %, respectively. We revealed the mechanisms behind the interfacial reinforcement and improved erosion-wear resistance of the AS-ZnO/CF@EP composite coating, which was attributed to the mechanical interlocking brought by the uniformly dense ZnO nanolayers with needle-like structures and the chemical bonding brought by amination treatment in AS-ZnO/CF. This research work indicates that the synergistic effect of rough structure meshing and chemical bonding is crucial for enhancing the interfacial adhesion strength and erosion resistance of carbon enforced polymer composite coatings when being applied in the harsh marine environment.
{"title":"Constructing ZnO seed layer on the carbon fibers for enhancing the erosion resistance of carbon fiber/epoxy resin composite coating","authors":"Dongyue Guo , Yinghao Wu , Wenjie Zhao","doi":"10.1016/j.colsurfa.2025.136907","DOIUrl":"10.1016/j.colsurfa.2025.136907","url":null,"abstract":"<div><div>The poor adhesion strength between epoxy resin (EP) and carbon fiber (CF) is the bottleneck that greatly restricts the mechanical performances of carbon fiber reinforced polymers (CFRP) composite coatings. Preparing micro/nano particles on the surface of CF is an attractive strategy to boost the interfacial adhesion strength between CF and EP. However, the uneven and sparse distribution of micro/nano particles on the CFs surface negatively limited the interfacial compatibility between EP and CF, and alleviated the mechanical performances of CFRP composite materials. Therefore, in this work, we constructed a layer of ZnO seed on the surface of CFs via a hydrothermal method firstly, followed by the in-situ growth of ZnO nanolayers with needle-like structures, and further chemically grafting with active amino functional groups to boost the interfacial compatibility between CF and EP. Compared to the oxidized carbon fiber/EP composite coating (CFO@EP) and the in-situ growth of ZnO micro/nano structured carbon fiber composite coating (ZnO/CF@EP), the wear rate of AS-ZnO/CF@EP coating was significantly reduced by 53.28 % and 39.44 %, and the erosion mass were reduced by 19.38 % and 14.75 %, respectively. We revealed the mechanisms behind the interfacial reinforcement and improved erosion-wear resistance of the AS-ZnO/CF@EP composite coating, which was attributed to the mechanical interlocking brought by the uniformly dense ZnO nanolayers with needle-like structures and the chemical bonding brought by amination treatment in AS-ZnO/CF. This research work indicates that the synergistic effect of rough structure meshing and chemical bonding is crucial for enhancing the interfacial adhesion strength and erosion resistance of carbon enforced polymer composite coatings when being applied in the harsh marine environment.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"718 ","pages":"Article 136907"},"PeriodicalIF":4.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143829167","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-11DOI: 10.1016/j.colsurfa.2025.136826
Furong Xu , Songli Dai , Huan Zheng , Quan Zheng , Zean Tian
Recent experimental and theoretical studies have highlighted interlayer sliding can be an effective pathway to identify 2D ferroelectric materials with strong out-of-plane polarization and low ferroelectric flip-flop barriers. In this work, the electronic properties, ferroelectric switching mechanisms, and piezoelectric characteristics of Janus Cr2I3Cl3 bilayers are researched by the first principles. Electrical property analysis reveals that the interlayer sliding modifies the coupling between adjacent layers, leading to the redistribution of vertical charge and resulting in the reversal of out-of-plane polarization, enabling ferroelectric switching. The vertical polarization direction in the AB stacking of the I-I and Cl-Cl configurations can be switched to the opposite direction in the BA stacking by overcoming energy barriers as low as 8.8 meV and 12.07 meV, respectively. Furthermore, the Janus Cr2I3Cl3 bilayer maintains its indirect bandgap semiconductor nature, making it suitable for piezoelectric applications. The double-layer Janus Cr2I3Cl3 exhibits substantial in-plane piezoelectric stain coefficients d11 (10.65–18.97 pm/V), especially the I-Cl configuration displays significant out-of-plane piezoelectric coefficients d31 (2.47–2.65 pm/V). These remarkable ferroelectric and piezoelectric properties position the Janus Cr2I3Cl3 bilayer as a promising candidate for applications in multifunctional nanoelectronic devices.
{"title":"Bilayer Janus Cr2I3Cl3: Sliding ferroelectricity with ultra-low switching barrier and enhanced out-of-plane piezoelectricity","authors":"Furong Xu , Songli Dai , Huan Zheng , Quan Zheng , Zean Tian","doi":"10.1016/j.colsurfa.2025.136826","DOIUrl":"10.1016/j.colsurfa.2025.136826","url":null,"abstract":"<div><div>Recent experimental and theoretical studies have highlighted interlayer sliding can be an effective pathway to identify 2D ferroelectric materials with strong out-of-plane polarization and low ferroelectric flip-flop barriers. In this work, the electronic properties, ferroelectric switching mechanisms, and piezoelectric characteristics of Janus Cr<sub>2</sub>I<sub>3</sub>Cl<sub>3</sub> bilayers are researched by the first principles. Electrical property analysis reveals that the interlayer sliding modifies the coupling between adjacent layers, leading to the redistribution of vertical charge and resulting in the reversal of out-of-plane polarization, enabling ferroelectric switching. The vertical polarization direction in the AB stacking of the I-I and Cl-Cl configurations can be switched to the opposite direction in the BA stacking by overcoming energy barriers as low as 8.8 meV and 12.07 meV, respectively. Furthermore, the Janus Cr<sub>2</sub>I<sub>3</sub>Cl<sub>3</sub> bilayer maintains its indirect bandgap semiconductor nature, making it suitable for piezoelectric applications. The double-layer Janus Cr<sub>2</sub>I<sub>3</sub>Cl<sub>3</sub> exhibits substantial in-plane piezoelectric stain coefficients <em>d</em><sub><em>11</em></sub> (10.65–18.97 pm/V), especially the I-Cl configuration displays significant out-of-plane piezoelectric coefficients <em>d</em><sub><em>31</em></sub> (2.47–2.65 pm/V). These remarkable ferroelectric and piezoelectric properties position the Janus Cr<sub>2</sub>I<sub>3</sub>Cl<sub>3</sub> bilayer as a promising candidate for applications in multifunctional nanoelectronic devices.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"718 ","pages":"Article 136826"},"PeriodicalIF":4.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143839160","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-11DOI: 10.1016/j.colsurfa.2025.136843
Tuowei Li , Yijie Wang , Yue Sun , Ting Li , Weifu Dong
Active substances like astaxanthin are highly sensitive to environmental factors such as light, heat, and oxygen, making them prone to losing their activity during storage and use. To effectively protect these bioactive compounds, this study developed a simple method to prepare pea protein isolate-polylysine (PPI-PL) complex particles using electrostatic interactions, hydrophobic interactions, and hydrogen bonding between the two components. The emulsions prepared with these complex particles demonstrated excellent storage stability (up to 30 days), pH stability (acidic, basic, and neutral conditions), and stability under high ionic strength (7000 mM) conditions. Furthermore, the emulsions improved the protection of active substances (such as astaxanthin) against environmental stressors like oxygen and UV light, and also exhibited significant antibacterial activity against E. coli and S. aureus. This approach offers new insights for the development of multifunctional emulsions for use in functional foods and pharmaceuticals.
{"title":"Emulsion stabilized by pea protein isolate-polylysine complex particles with high ionic strength resistance and their application in active substances protection","authors":"Tuowei Li , Yijie Wang , Yue Sun , Ting Li , Weifu Dong","doi":"10.1016/j.colsurfa.2025.136843","DOIUrl":"10.1016/j.colsurfa.2025.136843","url":null,"abstract":"<div><div>Active substances like astaxanthin are highly sensitive to environmental factors such as light, heat, and oxygen, making them prone to losing their activity during storage and use. To effectively protect these bioactive compounds, this study developed a simple method to prepare pea protein isolate-polylysine (PPI-PL) complex particles using electrostatic interactions, hydrophobic interactions, and hydrogen bonding between the two components. The emulsions prepared with these complex particles demonstrated excellent storage stability (up to 30 days), pH stability (acidic, basic, and neutral conditions), and stability under high ionic strength (7000 mM) conditions. Furthermore, the emulsions improved the protection of active substances (such as astaxanthin) against environmental stressors like oxygen and UV light, and also exhibited significant antibacterial activity against E. coli and S. aureus. This approach offers new insights for the development of multifunctional emulsions for use in functional foods and pharmaceuticals.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"718 ","pages":"Article 136843"},"PeriodicalIF":4.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143829500","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-11DOI: 10.1016/j.colsurfa.2025.136920
Penghui Li , Lihai Zhai , Ying Sun , Mingming Zhang , Chao Huang , Xiaolai Zhang
The aggregation state of drug molecules in solution is a key factor affecting their efficacy and bioavailability, and propylene glycol has a wide range of applications as a solution stabilizing agent in drug injection formulations. In this work, molecular dynamics simulations were used to study the aggregation behavior of isosorbide mononitrate in three-volume fractions of aqueous solutions of propylene glycol. It was found that the aggregation probability of isosorbide mononitrate in solution decreased as the volume fraction of propylene glycol in solution increased. The interactions between drug molecules within the aggregates, the solvation state around the drug molecules, and the spatial distribution characteristics of solvent molecules around the drug molecules were investigated. In different volume fractions of propylene glycol aqueous solution, drug molecules are selective in forming hydrogen bonds with water and propylene glycol molecules; at the same time, there are certain differences in the type, number, and strength of hydrogen bonds in the hydrogen bonding network formed by solvent molecules around the drug molecules of isosorbide mononitrate. The interactions between drug molecules and solvent molecules and the hydrogen bonding network formed between solvent molecules together resulted in a lower self-diffusion coefficient of isosorbide mononitrate in a higher volume fraction of propylene glycol aqueous solution, a lower probability of formation of drug aggregates and a higher stability of the solution.
{"title":"Molecular dynamics simulations to study the stability of isosorbide mononitrate solutions","authors":"Penghui Li , Lihai Zhai , Ying Sun , Mingming Zhang , Chao Huang , Xiaolai Zhang","doi":"10.1016/j.colsurfa.2025.136920","DOIUrl":"10.1016/j.colsurfa.2025.136920","url":null,"abstract":"<div><div>The aggregation state of drug molecules in solution is a key factor affecting their efficacy and bioavailability, and propylene glycol has a wide range of applications as a solution stabilizing agent in drug injection formulations. In this work, molecular dynamics simulations were used to study the aggregation behavior of isosorbide mononitrate in three-volume fractions of aqueous solutions of propylene glycol. It was found that the aggregation probability of isosorbide mononitrate in solution decreased as the volume fraction of propylene glycol in solution increased. The interactions between drug molecules within the aggregates, the solvation state around the drug molecules, and the spatial distribution characteristics of solvent molecules around the drug molecules were investigated. In different volume fractions of propylene glycol aqueous solution, drug molecules are selective in forming hydrogen bonds with water and propylene glycol molecules; at the same time, there are certain differences in the type, number, and strength of hydrogen bonds in the hydrogen bonding network formed by solvent molecules around the drug molecules of isosorbide mononitrate. The interactions between drug molecules and solvent molecules and the hydrogen bonding network formed between solvent molecules together resulted in a lower self-diffusion coefficient of isosorbide mononitrate in a higher volume fraction of propylene glycol aqueous solution, a lower probability of formation of drug aggregates and a higher stability of the solution.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"719 ","pages":"Article 136920"},"PeriodicalIF":4.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143856095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-11DOI: 10.1016/j.colsurfa.2025.136911
Jian Ye , Zhaoxiang Ling , Chuang Li , Mingyang Dai , Qiang Chen , Yanling Gu , Chunping Yang
Micro-nanobubbles (MNBs), as an emerging environmental-friendly technology, have shown great potential in enhancing advanced oxidation processes for water treatment. This study innovatively integrated MNBs with a biochar-supported cobalt-iron catalyst (CoFe/BC) and persulfate (PDS) system, creating a novel synergistic approach for tetracycline (TC) degradation. The CoFe/BC+PDS+MNB system achieved 95.63 % TC degradation efficiency under optimized conditions (50 mg/L catalyst, 30 mg/L TC, 400 mg/L PDS), outperforming the conventional system with half the catalyst. While CO32- and HCO3- inhibited TC degradation, NO3-, H2PO4-, and humic acid showed minimal interference. Mechanistic studies revealed that singlet oxygen (1O2), sulfate radicals (SO4•-), and hydroxyl radicals (•OH) were the primary reactive species. MNBs facilitated electron transfer between dissolved oxygen (DO) and CoFe/BC, while bubble collapse generated localized •OH hotspots. Electrostatic attraction between MNBs and CoFe/BC under acidic conditions (pH 3–6.2) improved DO conversion efficiency, while MNB stability at neutral-alkaline pH ensured sustained degradation (>91 % at pH 7–9). Despite pH sensitivity, the synergistic effect maintained efficient degradation across a broad pH range. This study demonstrates the potential of MNBs integration in persulfate-based advanced oxidation processes for water treatment applications.
{"title":"Micro-nanobubble-assisted tetracycline degradation by biochar-supported FeCo-metal-organic framework derivatives/persulfate system","authors":"Jian Ye , Zhaoxiang Ling , Chuang Li , Mingyang Dai , Qiang Chen , Yanling Gu , Chunping Yang","doi":"10.1016/j.colsurfa.2025.136911","DOIUrl":"10.1016/j.colsurfa.2025.136911","url":null,"abstract":"<div><div>Micro-nanobubbles (MNBs), as an emerging environmental-friendly technology, have shown great potential in enhancing advanced oxidation processes for water treatment. This study innovatively integrated MNBs with a biochar-supported cobalt-iron catalyst (CoFe/BC) and persulfate (PDS) system, creating a novel synergistic approach for tetracycline (TC) degradation. The CoFe/BC+PDS+MNB system achieved 95.63 % TC degradation efficiency under optimized conditions (50 mg/L catalyst, 30 mg/L TC, 400 mg/L PDS), outperforming the conventional system with half the catalyst. While CO<sub>3</sub><sup>2-</sup> and HCO<sub>3</sub><sup>-</sup> inhibited TC degradation, NO<sub>3</sub><sup>-</sup>, H<sub>2</sub>PO<sub>4</sub><sup>-</sup>, and humic acid showed minimal interference. Mechanistic studies revealed that singlet oxygen (<sup>1</sup>O<sub>2</sub>), sulfate radicals (SO<sub>4</sub><sup>•-</sup>), and hydroxyl radicals (•OH) were the primary reactive species. MNBs facilitated electron transfer between dissolved oxygen (DO) and CoFe/BC, while bubble collapse generated localized •OH hotspots. Electrostatic attraction between MNBs and CoFe/BC under acidic conditions (pH 3–6.2) improved DO conversion efficiency, while MNB stability at neutral-alkaline pH ensured sustained degradation (>91 % at pH 7–9). Despite pH sensitivity, the synergistic effect maintained efficient degradation across a broad pH range. This study demonstrates the potential of MNBs integration in persulfate-based advanced oxidation processes for water treatment applications.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"718 ","pages":"Article 136911"},"PeriodicalIF":4.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143848600","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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