Pub Date : 2026-06-01Epub Date: 2026-02-03DOI: 10.1016/j.apsusc.2026.166190
Mingnv Guo , Yulin Chen , Jiahao Liu , Jiaqi Qiu , Wenjing Wang , Zhongqing Yang
This study employs a Cu–Ni co–doping strategy to construct a Bi2MoO6 photothermal synergistic catalyst, achieving highly efficient conversion of CO2 reduction. Under ultraviolet–visible (UV–Vis) xenon lamp irradiation and 200 °C external heating conditions, the optimal sample (3Cu-6Ni-Bi2MoO6) exhibited CO and CH4 yields of 293.16 μmol·g−1 and 98.43 μmol·g−1 respectively, within 4 h, representing 6.8-fold and 5.3-fold increases compared to the undoped sample. The significant enhancement in CO2 conversion activity can be attributed to the following factors: (1) Co-doping with Cu2+ and Ni2+ induces lattice distortion and oxygen vacancy formation, generating defect energy levels near the valence band edge. This reduces the bandgap to 2.1 eV, thereby broadening the visible light absorption range; (2) Oxygen vacancy defects provide highly efficient CO2 adsorption and activation sites; (3) Doping with Cu and Ni enhances the separation and transport efficiency of photogenerated carriers.
{"title":"Thermally assisted photocatalysis: oxygen vacancy-mediated enhanced photothermal synergistic CO2 reduction over Cu-Ni Co-doped Bi2MoO6","authors":"Mingnv Guo , Yulin Chen , Jiahao Liu , Jiaqi Qiu , Wenjing Wang , Zhongqing Yang","doi":"10.1016/j.apsusc.2026.166190","DOIUrl":"10.1016/j.apsusc.2026.166190","url":null,"abstract":"<div><div>This study employs a Cu–Ni co–doping strategy to construct a Bi<sub>2</sub>MoO<sub>6</sub> photothermal synergistic catalyst, achieving highly efficient conversion of CO<sub>2</sub> reduction. Under ultraviolet–visible (UV–Vis) xenon lamp irradiation and 200 °C external heating conditions, the optimal sample (3Cu-6Ni-Bi<sub>2</sub>MoO<sub>6</sub>) exhibited CO and CH<sub>4</sub> yields of 293.16 μmol·g<sup>−1</sup> and 98.43 μmol·g<sup>−1</sup> respectively, within 4 h, representing 6.8-fold and 5.3-fold increases compared to the undoped sample. The significant enhancement in CO<sub>2</sub> conversion activity can be attributed to the following factors: (1) Co-doping with Cu<sup>2+</sup> and Ni<sup>2+</sup> induces lattice distortion and oxygen vacancy formation, generating defect energy levels near the valence band edge. This reduces the bandgap to 2.1 eV, thereby broadening the visible light absorption range; (2) Oxygen vacancy defects provide highly efficient CO<sub>2</sub> adsorption and activation sites; (3) Doping with Cu and Ni enhances the separation and transport efficiency of photogenerated carriers.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"730 ","pages":"Article 166190"},"PeriodicalIF":6.9,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146110079","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-06-01Epub Date: 2026-02-10DOI: 10.1016/j.apsusc.2026.166291
Kristina Prigoda , Vladimir Bolshakov , Anna Ermina , Danila Markov , Sergey Grudinkin , Nikolay Solodovchenko , Artem Larin , Dmitriy Dolgintsev , Anna Tsareva , Ekaterina Khrapova , Darina Krasilina , Nikolay Feoktistov , Yuliya Zharova
In this study, composite structures were created consisting of silver nanoparticles in the form of islands and hemispheres (AgHNPs) coated with a 30 nm layer of hydrogenated amorphous silicon carbide (a-SiC:H) on single-crystal silicon (c-Si) substrates. Ag island films obtained by chemical deposition from a solution 0.02 M AgNO3 :5 M HF were annealed at 500 °C in ambient atmosphere to produce AgHNPs. Then a layer of a-SiC:H was deposited on the resulting Ag nanostructures using plasma-enhanced chemical vapor deposition. The morphological, optical, and structural properties of the resulting composites were studied by scanning electron microscopy, X-ray diffraction analysis, energy-dispersive X-ray spectroscopy and spectroscopic reflectometry. The dependence of the position of localized plasmon resonances on the AgHNPs size, incidence angle, and light polarization was investigated using the quasinormal mode formalism, taking into account the dispersion of the permittivity of materials. The studied structures were tested as surface-enhanced Raman scattering (SERS) substrates, where the analyte was an aqueous solution of the triphenylmethane dye brilliant green (BG). It was found that the enhancement factor for a-SiC:H/Ag/c-Si structures was ∼104 at an aqueous BG solution concentration of 10−6 M. With repeated use of the proposed reusable SERS substrate, reliable detection of BG at a concentration of 10−5 M was established.
在本研究中，在单晶硅（c-Si）衬底上涂覆30 nm氢化非晶碳化硅（a- sic:H），形成岛状和半球状的银纳米颗粒（AgHNPs）复合结构。在0.02 M AgNO3:5 M HF溶液中化学沉积得到银岛膜，在500℃常温下退火制备AgHNPs。然后利用等离子体增强化学气相沉积技术在银纳米结构上沉积一层a- sic:H。采用扫描电子显微镜、x射线衍射分析、能量色散x射线能谱学和光谱反射法研究了复合材料的形态、光学和结构性能。在考虑材料介电常数色散的情况下，利用准正态模形式研究了局部等离子体共振位置与AgHNPs尺寸、入射角和光偏振的关系。所研究的结构作为表面增强拉曼散射（SERS）衬底进行测试，其中分析物为三苯基甲烷染料亮绿（BG）的水溶液。结果发现，在浓度为10−6 M的BG水溶液中，a- sic:H/Ag/c-Si结构的增强因子为~ 104。通过重复使用所提出的可重复使用的SERS底物，建立了浓度为10−5 M的BG的可靠检测。
{"title":"Composite structures of a-SiC:H/Ag/c-Si as reusable SERS substrates: fabrication, structural and optical properties","authors":"Kristina Prigoda , Vladimir Bolshakov , Anna Ermina , Danila Markov , Sergey Grudinkin , Nikolay Solodovchenko , Artem Larin , Dmitriy Dolgintsev , Anna Tsareva , Ekaterina Khrapova , Darina Krasilina , Nikolay Feoktistov , Yuliya Zharova","doi":"10.1016/j.apsusc.2026.166291","DOIUrl":"10.1016/j.apsusc.2026.166291","url":null,"abstract":"<div><div>In this study, composite structures were created consisting of silver nanoparticles in the form of islands and hemispheres (AgHNPs) coated with a 30 nm layer of hydrogenated amorphous silicon carbide (a-SiC:H) on single-crystal silicon (c-Si) substrates. Ag island films obtained by chemical deposition from a solution 0.02 M AgNO<sub>3</sub> :5 M HF were annealed at 500 °C in ambient atmosphere to produce AgHNPs. Then a layer of a-SiC:H was deposited on the resulting Ag nanostructures using plasma-enhanced chemical vapor deposition. The morphological, optical, and structural properties of the resulting composites were studied by scanning electron microscopy, X-ray diffraction analysis, energy-dispersive X-ray spectroscopy and spectroscopic reflectometry. The dependence of the position of localized plasmon resonances on the AgHNPs size, incidence angle, and light polarization was investigated using the quasinormal mode formalism, taking into account the dispersion of the permittivity of materials. The studied structures were tested as surface-enhanced Raman scattering (SERS) substrates, where the analyte was an aqueous solution of the triphenylmethane dye brilliant green (BG). It was found that the enhancement factor for a-SiC:H/Ag/c-Si structures was ∼10<sup>4</sup> at an aqueous BG solution concentration of 10<sup>−6</sup> M. With repeated use of the proposed reusable SERS substrate, reliable detection of BG at a concentration of 10<sup>−5</sup> M was established.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"730 ","pages":"Article 166291"},"PeriodicalIF":6.9,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146152798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-06-01Epub Date: 2026-02-08DOI: 10.1016/j.apsusc.2026.166259
Huining Zhang , Yue Zhang , Yang Cao , Jianping Han , Zongqian Zhang , Yankui Xiao , Zhiqiang Wei , Zhiguo Wu
Ammonia nitrogen and nitrate nitrogen pollution in aquaculture effluent have been demonstrated to pose significant threats to aquatic environmental health. This work constructed a biomimetic artificial enzyme (hemin chloride)-BiVO4 homojunction photocatalytic synergistic system via solvothermal synthesis. This system activates a Fenton-like reaction, achieving highly efficient simultaneous removal of ammonia nitrogen and nitrate nitrogen under slightly alkaline conditions. This overcomes the drawback of conventional photocatalytic ammonia nitrogen removal requiring alkaline reaction conditions. Experimental results demonstrate superior removal performance for the composite material HBB. At pH 8.0, HBB-2 achieved simultaneous removal rates of 75.7% for ammonia nitrogen and 70.3% for nitrate nitrogen after 100 min. Furthermore, the redox role of reactive oxygen species and electrons in the removal of nitrogen pollutants as well as the removal mechanism were proposed by free radical scavenging experiments. Notably, loading the artificial enzyme onto the homojunction BiVO4 photocatalyst broadened its visible light response range while imparting excellent mechanical stability, maintaining outstanding removal capacity after 10 cycles. In summary, the artificial enzyme-homojunction composite system offers a viable approach for developing photocatalysts capable of simultaneously removing ammonia nitrogen and nitrate nitrogen under slightly alkaline conditions, providing valuable insights for effluent purification in aquaculture.
{"title":"Biomimetic artificial enzyme-BiVO4 homojunction photocatalyst for simultaneous removal of nitrogen pollution in slightly alkaline conditions: Synergy of fenton-like effect and electron shuttle function","authors":"Huining Zhang , Yue Zhang , Yang Cao , Jianping Han , Zongqian Zhang , Yankui Xiao , Zhiqiang Wei , Zhiguo Wu","doi":"10.1016/j.apsusc.2026.166259","DOIUrl":"10.1016/j.apsusc.2026.166259","url":null,"abstract":"<div><div>Ammonia nitrogen and nitrate nitrogen pollution in aquaculture effluent have been demonstrated to pose significant threats to aquatic environmental health. This work constructed a biomimetic artificial enzyme (hemin chloride)-BiVO<sub>4</sub> homojunction photocatalytic synergistic system via solvothermal synthesis. This system activates a Fenton-like reaction, achieving highly efficient simultaneous removal of ammonia nitrogen and nitrate nitrogen under slightly alkaline conditions. This overcomes the drawback of conventional photocatalytic ammonia nitrogen removal requiring alkaline reaction conditions. Experimental results demonstrate superior removal performance for the composite material HBB. At pH 8.0, HBB-2 achieved simultaneous removal rates of 75.7% for ammonia nitrogen and 70.3% for nitrate nitrogen after 100 min. Furthermore, the redox role of reactive oxygen species and electrons in the removal of nitrogen pollutants as well as the removal mechanism were proposed by free radical scavenging experiments. Notably, loading the artificial enzyme onto the homojunction BiVO<sub>4</sub> photocatalyst broadened its visible light response range while imparting excellent mechanical stability, maintaining outstanding removal capacity after 10 cycles. In summary, the artificial enzyme-homojunction composite system offers a viable approach for developing photocatalysts capable of simultaneously removing ammonia nitrogen and nitrate nitrogen under slightly alkaline conditions, providing valuable insights for effluent purification in aquaculture.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"730 ","pages":"Article 166259"},"PeriodicalIF":6.9,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146134583","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-06-01Epub Date: 2026-02-09DOI: 10.1016/j.apsusc.2026.166273
K. Idczak, E. Wachowicz
This study investigates the intercalation of ytterbium (Yb) beneath the graphene grown on 4H–SiC(0001) as a strategy to modulate the electronic properties of the graphene/SiC system. A combination of theoretical and experimental methods was employed to elucidate the mechanisms governing Yb intercalation and its impact on doping behavior. Theoretical calculation reveals that Yb preferentially intercalates beneath the buffer and graphene layers, with the most energetically favorable configurations inducing significant charge transfer and n-type doping. At specific concentrations, intercalation leads to the emergence of a Van Hove singularity near the Fermi level, offering a pathway to engineer flat-band electronic states. Experimental results confirm that intercalation may occur already at room temperature and is highly sensitive to both Yb coverage and system annealing at various temperatures.
{"title":"Determining key parameters for doping graphene by Yb intercalation on 4H-SiC(0001) surface","authors":"K. Idczak, E. Wachowicz","doi":"10.1016/j.apsusc.2026.166273","DOIUrl":"10.1016/j.apsusc.2026.166273","url":null,"abstract":"<div><div>This study investigates the intercalation of ytterbium (Yb) beneath the graphene grown on 4H–SiC(0001) as a strategy to modulate the electronic properties of the graphene/SiC system. A combination of theoretical and experimental methods was employed to elucidate the mechanisms governing Yb intercalation and its impact on doping behavior. Theoretical calculation reveals that Yb preferentially intercalates beneath the buffer and graphene layers, with the most energetically favorable configurations inducing significant charge transfer and n-type doping. At specific concentrations, intercalation leads to the emergence of a Van Hove singularity near the Fermi level, offering a pathway to engineer flat-band electronic states. Experimental results confirm that intercalation may occur already at room temperature and is highly sensitive to both Yb coverage and system annealing at various temperatures.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"730 ","pages":"Article 166273"},"PeriodicalIF":6.9,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146147","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-06-01Epub Date: 2026-02-10DOI: 10.1016/j.apsusc.2026.166286
Yanfei Jian , He Xu , Yujie Liu , Lianghui Xia , Jingjing Wang , Xinzhe Li , Meizan Jing , Chi He
Industrial light alkanes (LAs) demonstrate great environmental hazards and health risks. However, it is a longstanding challenge for their low-temperature and stable degradation due to high molecular inertia and extensively existed sulfur-containing impurity. Here, we proposed a feasible electron-induced modification strategy to simultaneously enhance the activity and sulfur resistance of catalysts by micro-local electronic property and surface acidity regulation. The presence of sulfite over 0.05S-Pt/TiO2 leads to the formation of electron deficient metal centers (SO3-Pt) through strong covalent S=O bonds, which respectively act as nucleophiles (SO3δ-, abstract H) and electrophiles (adjacent Ptδ+ sites, abstract C3H7*), promoting the dissociation of C–H bonds (dissociation energy reduces by 3.97 times compared to Pt/TiO2) and thereby achieving highly-efficient C3H8 oxidation (90% of which oxidized at just 216 °C). Meanwhile, the existence of SO3-Pt coupling sites remarkably weaken the adsorption of SO2 over Pt and consequently improves the sulfur resistance of 0.05S-Pt/TiO2; the activity of which is well-maintained after 35 h of continuous operation in the presence of 100–200 ppm SO2. The present work provides critical insights into the development of functional catalysts with promoted activity and sulfur resistance towards LAs efficient purification, shedding great environmental significance.
{"title":"Promoting C–H activation and SO2 resistance in propane degradation by fabricating S-Pt/TiO2 with Ptδ+ species and SO3-Pt coupling sites","authors":"Yanfei Jian , He Xu , Yujie Liu , Lianghui Xia , Jingjing Wang , Xinzhe Li , Meizan Jing , Chi He","doi":"10.1016/j.apsusc.2026.166286","DOIUrl":"10.1016/j.apsusc.2026.166286","url":null,"abstract":"<div><div>Industrial light alkanes (LAs) demonstrate great environmental hazards and health risks. However, it is a longstanding challenge for their low-temperature and stable degradation due to high molecular inertia and extensively existed sulfur-containing impurity. Here, we proposed a feasible electron-induced modification strategy to simultaneously enhance the activity and sulfur resistance of catalysts by micro-local electronic property and surface acidity regulation. The presence of sulfite over 0.05S-Pt/TiO<sub>2</sub> leads to the formation of electron deficient metal centers (SO<sub>3</sub>-Pt) through strong covalent S=O bonds, which respectively act as nucleophiles (SO<sub>3</sub><sup>δ-</sup>, abstract H) and electrophiles (adjacent Pt<sup>δ+</sup> sites, abstract C<sub>3</sub>H<sub>7</sub>*), promoting the dissociation of C–H bonds (dissociation energy reduces by 3.97 times compared to Pt/TiO<sub>2</sub>) and thereby achieving highly-efficient C<sub>3</sub>H<sub>8</sub> oxidation (90% of which oxidized at just 216 °C). Meanwhile, the existence of SO<sub>3</sub>-Pt coupling sites remarkably weaken the adsorption of SO<sub>2</sub> over Pt and consequently improves the sulfur resistance of 0.05S-Pt/TiO<sub>2</sub>; the activity of which is well-maintained after 35 h of continuous operation in the presence of 100–200 ppm SO<sub>2</sub>. The present work provides critical insights into the development of functional catalysts with promoted activity and sulfur resistance towards LAs efficient purification, shedding great environmental significance.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"730 ","pages":"Article 166286"},"PeriodicalIF":6.9,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146145","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-06-01Epub Date: 2026-02-09DOI: 10.1016/j.apsusc.2026.166241
Pradyumna Kumar Parida , Olivier Richard , Dae Seon Kwon , Gourab De , Mihaela Ioana Popovici , Paola Favia , Attilio Belmonte , Eva Grieten
La-doped hafnium zirconium oxide thin film is a promising candidate for future ferroelectric device applications. This study illustrates the high-spatial resolution crystal orientation and phase mapping in HfZrOx(HZO) thin films grown on different seed layers, namely TiO2, ZrO2 and WO3 using precession electron diffraction technique (PED). First, the methodology adopted for reliable HZO phase identification and quantification is discussed. Additionally, the PED analysis indicated that HZO films grown on TiO2 or ZrO2 seed layers preferably induce the formation of ferroelectric orthorhombic phase. However, the ferroelectric grain size was found to be the smallest with ZrO2 seed as compared to TiO2 seed. The WO3 seed layer favored the formation of the antiferroelectric tetragonal phase with larger grain size. Our observation showed, 1 nm thick TiO2 was found to be the most effective seed layer as compared to others in favoring the growth of ferroelectric orthorhombic grains and making it a suitable choice for the designer towards application oriented advanced ferroelectric devices.
{"title":"Identification and quantification of ferroelectric phases in HfZrOx thin films using the precession electron diffraction technique","authors":"Pradyumna Kumar Parida , Olivier Richard , Dae Seon Kwon , Gourab De , Mihaela Ioana Popovici , Paola Favia , Attilio Belmonte , Eva Grieten","doi":"10.1016/j.apsusc.2026.166241","DOIUrl":"10.1016/j.apsusc.2026.166241","url":null,"abstract":"<div><div>La-doped hafnium zirconium oxide thin film is a promising candidate for future ferroelectric device applications. This study illustrates the high-spatial resolution crystal orientation and phase mapping in HfZrO<sub>x</sub> <strong>(</strong>HZO) thin films grown on different seed layers, namely TiO<sub>2</sub>, ZrO<sub>2</sub> and WO<sub>3</sub> using precession electron diffraction technique (PED). First, the methodology adopted for reliable HZO phase identification and quantification is discussed. Additionally, the PED analysis indicated that HZO films grown on TiO<sub>2</sub> or ZrO<sub>2</sub> seed layers preferably induce the formation of ferroelectric orthorhombic phase. However, the ferroelectric grain size was found to be the smallest with ZrO<sub>2</sub> seed as compared to TiO<sub>2</sub> seed. The WO<sub>3</sub> seed layer favored the formation of the antiferroelectric tetragonal phase with larger grain size. Our observation showed, 1 nm thick TiO<sub>2</sub> was found to be the most effective seed layer as compared to others in favoring the growth of ferroelectric orthorhombic grains and making it a suitable choice for the designer towards application oriented advanced ferroelectric devices.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"730 ","pages":"Article 166241"},"PeriodicalIF":6.9,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146475","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Developing efficient photocatalysts for the conversion of CO2 into value-added chemicals is considered as an ideal strategy to handle the energy crisis and environmental pollution. Among the numerous candidate materials, lead-free perovskite Cs3Bi2Br9 has attracted significant research interests in CO2 photoreduction because of its excellent reducing power and controllable product selectivity. In this work, we developed a novel Cs3Bi2Br9/Ta2O5 composite via the in-situ growth of Cs3Bi2Br9 on the porous Ta2O5, which exhibits excellent dual functionalities of CO2 capture and conversion. The optimized sample T2 achieved a CO photoreduction yield of 413.45 μmol g−1 h−1 without adding any sacrificial agents, which is 4.7 and 22.3 times higher than that of pure Cs3Bi2Br9 and Ta2O5, respectively. The markedly improved photocatalytic performance arises from a type-II heterojunction charge transfer pathway generated between Cs3Bi2Br9 and Ta2O5, which drives the highly efficient separation and transfer of charge carriers, as confirmed by the enhanced photocurrent response and quenched PL intensity. Furthermore, the achieved composite also exhibited remarkable stability, as evidenced by the well-maintained structural integrity of the material after a 24-hour cycling test. This study provides key insights for developing novel lead-free perovskite-based photocatalysts, which has significant scientific and application value for achieving carbon neutrality goals.
{"title":"In-situ grown lead-free perovskite Cs3Bi2Br9 on porous Ta2O5 for boosted gas–solid phase CO2 photocatalytic conversion","authors":"Wanwan Wu, Linjie Song, Yinqi Qiao, Yan Bai, Xue Liu, Haiyan Li, Dongbin Dang","doi":"10.1016/j.apsusc.2026.166174","DOIUrl":"10.1016/j.apsusc.2026.166174","url":null,"abstract":"<div><div>Developing efficient photocatalysts for the conversion of CO<sub>2</sub> into value-added chemicals is considered as an ideal strategy to handle the energy crisis and environmental pollution. Among the numerous candidate materials, lead-free perovskite Cs<sub>3</sub>Bi<sub>2</sub>Br<sub>9</sub> has attracted significant research interests in CO<sub>2</sub> photoreduction because of its excellent reducing power and controllable product selectivity. In this work, we developed a novel Cs<sub>3</sub>Bi<sub>2</sub>Br<sub>9</sub>/Ta<sub>2</sub>O<sub>5</sub> composite via the in-situ growth of Cs<sub>3</sub>Bi<sub>2</sub>Br<sub>9</sub> on the porous Ta<sub>2</sub>O<sub>5</sub>, which exhibits excellent dual functionalities of CO<sub>2</sub> capture and conversion. The optimized sample T2 achieved a CO photoreduction yield of 413.45 μmol g<sup>−1</sup> h<sup>−1</sup> without adding any sacrificial agents, which is 4.7 and 22.3 times higher than that of pure Cs<sub>3</sub>Bi<sub>2</sub>Br<sub>9</sub> and Ta<sub>2</sub>O<sub>5</sub>, respectively. The markedly improved photocatalytic performance arises from a type-II heterojunction charge transfer pathway generated between Cs<sub>3</sub>Bi<sub>2</sub>Br<sub>9</sub> and Ta<sub>2</sub>O<sub>5</sub>, which drives the highly efficient separation and transfer of charge carriers, as confirmed by the enhanced photocurrent response and quenched PL intensity. Furthermore, the achieved composite also exhibited remarkable stability, as evidenced by the well-maintained structural integrity of the material after a 24-hour cycling test. This study provides key insights for developing novel lead-free perovskite-based photocatalysts, which has significant scientific and application value for achieving carbon neutrality goals.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"729 ","pages":"Article 166174"},"PeriodicalIF":6.9,"publicationDate":"2026-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146110102","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-05-30Epub Date: 2026-02-02DOI: 10.1016/j.apsusc.2026.166171
Yang Xu , Zijian Wang , Aimin Zhang , Zhiqiang Li , Danyang Li , Kongzhai Li
Nickel-based catalysts are crucial for the dry reforming of methane (DRM), a process converting greenhouse gases into syngas. The field has been constrained by the view that metallic nickel (Ni0) is the primary active site, which often leads to rapid coking. This work demonstrates that a synergistic dynamic equilibrium between Ni2+ and Ni0 is indispensable for achieving high-performance, stable, and coke-resistant DRM catalysts. A Ni/MgO catalyst was constructed, wherein the MgO support stabilizes a high content of Ni2+ species, forming a balanced interface with Ni0. The optimally designed catalyst delivered a stable CH4 conversion of 70 % over 150 h at 600 °C, with an H2/CO ratio close to 1, significantly outperforming control catalysts. Moreover, CH4-TPSR and CO2-TPSR results revealed that the activation temperature gap between CO2 and CH4 narrowed significantly, and this dynamic equilibrium constitutes the core mechanism for carbon deposition inhibition. In situ diffuse reflectance infrared Fourier transform spectroscopy further confirmed that CH4 on this catalyst preferentially produces CO and H2 via the CH3O− pathway, instead of deep cracking. These findings redefine the active-site paradigm for DRM and establish control over Ni speciation as a core strategy for designing stable, high-performance DRM catalysts.
{"title":"Unraveling the pivotal role of Ni species in dry reforming of methane on Ni/MgO catalysts","authors":"Yang Xu , Zijian Wang , Aimin Zhang , Zhiqiang Li , Danyang Li , Kongzhai Li","doi":"10.1016/j.apsusc.2026.166171","DOIUrl":"10.1016/j.apsusc.2026.166171","url":null,"abstract":"<div><div>Nickel-based catalysts are crucial for the dry reforming of methane (DRM), a process converting greenhouse gases into syngas. The field has been constrained by the view that metallic nickel (Ni<sup>0</sup>) is the primary active site, which often leads to rapid coking. This work demonstrates that a synergistic dynamic equilibrium between Ni<sup>2+</sup> and Ni<sup>0</sup> is indispensable for achieving high-performance, stable, and coke-resistant DRM catalysts. A Ni/MgO catalyst was constructed, wherein the MgO support stabilizes a high content of Ni<sup>2+</sup> species, forming a balanced interface with Ni<sup>0</sup>. The optimally designed catalyst delivered a stable CH<sub>4</sub> conversion of 70 % over 150 h at 600 °C, with an H<sub>2</sub>/CO ratio close to 1, significantly outperforming control catalysts. Moreover, CH<sub>4</sub>-TPSR and CO<sub>2</sub>-TPSR results revealed that the activation temperature gap between CO<sub>2</sub> and CH<sub>4</sub> narrowed significantly, and this dynamic equilibrium constitutes the core mechanism for carbon deposition inhibition. In situ diffuse reflectance infrared Fourier transform spectroscopy further confirmed that CH<sub>4</sub> on this catalyst preferentially produces CO and H<sub>2</sub> via the CH<sub>3</sub>O<sup>−</sup> pathway, instead of deep cracking. These findings redefine the active-site paradigm for DRM and establish control over Ni speciation as a core strategy for designing stable, high-performance DRM catalysts.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"729 ","pages":"Article 166171"},"PeriodicalIF":6.9,"publicationDate":"2026-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146110106","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-05-30Epub Date: 2026-02-03DOI: 10.1016/j.apsusc.2026.166189
Hanzhong Cui , Yuxi Chen , Meilin Zhang , Zhou Yang , Luyu Ji , Jin Zhang
Graphene film is a layered material with high thermal and electrical conductivity. Its properties depend on the alignment and packing of graphene sheets. In this work, capillary slit assisted self-assembly strategy was developed to fabricate freestanding graphene film with improved orientation and structural uniformity. A suspension of graphene oxide (GO) and commercial graphene (CG) was injected into a slit mold, where capillary forces and micro-convective flow promoted the alignment and dense stacking of graphene sheets during solvent evaporation. The resulting films were thermally reduced to produce reduced GO/CG composites, denoted as SrGO/G (with slit) and rGO/G (without slit). Structural characterization revealed that SrGO/G possesses a smoother surface, a more ordered layered structure, and a higher Herman’s orientation factor (0.91) compared to rGO/G (0.86). These structural advantages result in a higher in-plane thermal conductivity of 102.86 W m−1 K−1 for SrGO/G, compared with 26.74W m−1 K−1 for rGO/G. This enhancement is attributed to the more ordered and densely packed graphene sheets, which facilitate phonon transport along the in-plane direction. These results demonstrate that slit-assisted assembly is a simple and effective strategy to control graphene sheet alignment and enhance thermal properties.
石墨烯薄膜是一种具有高导热性和导电性的层状材料。其性能取决于石墨烯片的排列和包装。在这项工作中，开发了毛细管缝辅助自组装策略来制备具有改善取向和结构均匀性的独立式石墨烯薄膜。将氧化石墨烯（GO）和商用石墨烯（CG）的悬浮液注入狭缝模具中，在溶剂蒸发过程中，毛细力和微对流流促进石墨烯片的排列和致密堆积。将所得薄膜进行热还原，得到还原后的GO/CG复合材料，分别记为SrGO/G（有缝隙）和rGO/G（无缝隙）。结构表征表明，SrGO/G表面光滑，层状结构有序，Herman取向因子（0.91）高于rGO/G（0.86）。这些结构优势导致SrGO/G的面内导热系数为102.86 W m−1 K−1，而rGO/G的面内导热系数为26.74W m−1 K−1。这种增强归因于更有序和密集的石墨烯片，这有利于声子沿平面方向传输。这些结果表明，狭缝辅助组装是一种简单而有效的策略，可以控制石墨烯片的排列并提高热性能。
{"title":"Capillary slit induced orientation and microstructure control of graphene film","authors":"Hanzhong Cui , Yuxi Chen , Meilin Zhang , Zhou Yang , Luyu Ji , Jin Zhang","doi":"10.1016/j.apsusc.2026.166189","DOIUrl":"10.1016/j.apsusc.2026.166189","url":null,"abstract":"<div><div>Graphene film is a layered material with high thermal and electrical conductivity. Its properties depend on the alignment and packing of graphene sheets. In this work, capillary slit assisted self-assembly strategy was developed to fabricate freestanding graphene film with improved orientation and structural uniformity. A suspension of graphene oxide (GO) and commercial graphene (CG) was injected into a slit mold, where capillary forces and micro-convective flow promoted the alignment and dense stacking of graphene sheets during solvent evaporation. The resulting films were thermally reduced to produce reduced GO/CG composites, denoted as SrGO/G (with slit) and rGO/G (without slit). Structural characterization revealed that SrGO/G possesses a smoother surface, a more ordered layered structure, and a higher Herman’s orientation factor (0.91) compared to rGO/G (0.86). These structural advantages result in a higher in-plane thermal conductivity of 102.86 W m<sup>−1</sup> K<sup>−1</sup> for SrGO/G, compared with 26.74W m<sup>−1</sup> K<sup>−1</sup> for rGO/G. This enhancement is attributed to the more ordered and densely packed graphene sheets, which facilitate phonon transport along the in-plane direction. These results demonstrate that slit-assisted assembly is a simple and effective strategy to control graphene sheet alignment and enhance thermal properties.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"729 ","pages":"Article 166189"},"PeriodicalIF":6.9,"publicationDate":"2026-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146110095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-05-30Epub Date: 2026-01-31DOI: 10.1016/j.apsusc.2026.166121
Ting Cheng , Ran He , Qianqian Zhou , Junhui Luo , Yichun Zhou , Li Yang
Hypersonic vehicles face extreme environments above 3000 °C, where HfxTa1-xC solid solutions have emerged as promising candidates due to their superior high-temperature properties. Oxidation, as the initial stage of ablation, is critical, yet its atomic-scale mechanism remains unclear. In this study, density functional theory (DFT), ab initio molecular dynamics (AIMD), and experiments were combined to investigate the initial oxidation of HfxTa1-xC (x = 0, 0.5, 1). DFT calculations identified the preferred O2 adsorption sites, electronic structure features, and relative oxygen binding strengths on the (100) surfaces. AIMD simulations further examined oxygen adsorption, dissociation, and diffusion processes at 3000 K, and quantified diffusion rates across different compositions. Hf0.5Ta0.5C ceramics were fabricated and subjected to ablation tests to validate the computational predictions. The results demonstrate that Hf0.5Ta0.5C exhibits the strongest O2 adsorption at the Ta–C bridge site. The enhanced Ta-d/O-p hybridization and associated charge transfer facilitate the formation of a stable Hf–Ta–O protective layer. With the lowest oxygen diffusion coefficient and additional suppression from Hf6Ta2O17, Hf0.5Ta0.5C shows superior oxidation resistance compared with binary carbides. This study clarifies the atomic-scale oxidation mechanism of HfxTa1-xC through combined theoretical and experimental approaches. The findings provide fundamental guidance for the reliable design of ultra-high-temperature ceramics.
{"title":"Ultra-high-temperature oxidation behavior and mechanism of HfxTa1-xC: A combined DFT, AIMD, and experimental study","authors":"Ting Cheng , Ran He , Qianqian Zhou , Junhui Luo , Yichun Zhou , Li Yang","doi":"10.1016/j.apsusc.2026.166121","DOIUrl":"10.1016/j.apsusc.2026.166121","url":null,"abstract":"<div><div>Hypersonic vehicles face extreme environments above 3000 °C, where Hf<sub>x</sub>Ta<sub>1-x</sub>C solid solutions have emerged as promising candidates due to their superior high-temperature properties. Oxidation, as the initial stage of ablation, is critical, yet its atomic-scale mechanism remains unclear. In this study, density functional theory (DFT), ab initio molecular dynamics (AIMD), and experiments were combined to investigate the initial oxidation of Hf<sub>x</sub>Ta<sub>1-x</sub>C (x = 0, 0.5, 1). DFT calculations identified the preferred O<sub>2</sub> adsorption sites, electronic structure features, and relative oxygen binding strengths on the (100) surfaces. AIMD simulations further examined oxygen adsorption, dissociation, and diffusion processes at 3000 K, and quantified diffusion rates across different compositions. Hf<sub>0.5</sub>Ta<sub>0.5</sub>C ceramics were fabricated and subjected to ablation tests to validate the computational predictions. The results demonstrate that Hf<sub>0.5</sub>Ta<sub>0.5</sub>C exhibits the strongest O<sub>2</sub> adsorption at the Ta–C bridge site. The enhanced Ta-d/O-p hybridization and associated charge transfer facilitate the formation of a stable Hf–Ta–O protective layer. With the lowest oxygen diffusion coefficient and additional suppression from Hf<sub>6</sub>Ta<sub>2</sub>O<sub>17</sub>, Hf<sub>0.5</sub>Ta<sub>0.5</sub>C shows superior oxidation resistance compared with binary carbides. This study clarifies the atomic-scale oxidation mechanism of Hf<sub>x</sub>Ta<sub>1-x</sub>C through combined theoretical and experimental approaches. The findings provide fundamental guidance for the reliable design of ultra-high-temperature ceramics.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"729 ","pages":"Article 166121"},"PeriodicalIF":6.9,"publicationDate":"2026-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146095721","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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