In this paper, a novel solar cell based on hydrogenated amorphous silicon (a-Si:H) and metal oxides CuO is proposed. Using the one-dimensional computer code SCAPS-1D and under the AM1.5G spectrum, the a-Si:H(p)/CuO (P)/a-Si:H(n) solar cell is simulated and studied. The performance of solar cells, especially short-circuit current (Jsc), fill factor (FF) and conversion efficiency (ƞ), has been significantly improved by the CuO metal oxide absorber layer. The influence of the thickness of the absorbing layer, the band-gap of the CuO absorbing layer, the concentration of the acceptor, as well as the effect of working temperature on the photovoltaic parameters of the proposed solar cell are examined and promising results have been obtained. Indeed, the yield goes from 11.29 % for conventional p-i-n hydrogenated amorphous silicon to 26.39 % for the new hetero-junction structure.
{"title":"Numerical study of a novel heterojunction solar cell a-Si:H(p)/CuO (P)/ a-Si:H(n)","authors":"Manelle Hannachi , Soraya Belhadj , Zahir Rouabah , Nadir Bouarissa , Abdelhalim Zoukel","doi":"10.1016/j.matchemphys.2025.130495","DOIUrl":"10.1016/j.matchemphys.2025.130495","url":null,"abstract":"<div><div>In this paper, a novel solar cell based on hydrogenated amorphous silicon (a-Si:H) and metal oxides CuO is proposed. Using the one-dimensional computer code SCAPS-1D and under the AM1.5G spectrum, the a-Si:H(p)/CuO (P)/a-Si:H(n) solar cell is simulated and studied. The performance of solar cells, especially short-circuit current (Jsc), fill factor (FF) and conversion efficiency (ƞ), has been significantly improved by the CuO metal oxide absorber layer. The influence of the thickness of the absorbing layer, the band-gap of the CuO absorbing layer, the concentration of the acceptor, as well as the effect of working temperature on the photovoltaic parameters of the proposed solar cell are examined and promising results have been obtained. Indeed, the yield goes from 11.29 % for conventional p-i-n hydrogenated amorphous silicon to 26.39 % for the new hetero-junction structure.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130495"},"PeriodicalIF":4.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143350278","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2025-02-03DOI: 10.1016/j.matchemphys.2025.130492
Qingfang Jiang , Wujian Zhang , Weijian Ge , Yiping Jin , Wenfeng Han , Ying Li , Haodong Tang
Sintering deactivation of loaded precious metal catalysts is a pressing issue in the field, significantly reducing catalyst activity. Among them, the redispersion of carbon-loaded precious metal catalysts under a high-temperature atmosphere suffers from the problem of carbon carriers being prone to carbonization. In this study, the sintered PdZn/AC catalysts could be redispersed at low temperatures by adding the additive Zn. Combined with TEM, XRD, XPS, and other characterization means, it was found that the main reason for the redispersion of the sintered catalysts was that the Zn additive could form an alloy with Pd, which promoted the formation of high-valent Pd species, which exfoliated into small particles by oxidation in the O2–CO atmosphere. In addition, the factors that influenced the process (Zn content, redispersion temperature, treatment time, and number of treatments) were investigated using the controlled variable method. The present work presents a new idea for recycling sintered precious metal catalysts.
{"title":"Zn-promoted redispersion of Pd/AC sintered catalyst under O2–CO atmosphere","authors":"Qingfang Jiang , Wujian Zhang , Weijian Ge , Yiping Jin , Wenfeng Han , Ying Li , Haodong Tang","doi":"10.1016/j.matchemphys.2025.130492","DOIUrl":"10.1016/j.matchemphys.2025.130492","url":null,"abstract":"<div><div>Sintering deactivation of loaded precious metal catalysts is a pressing issue in the field, significantly reducing catalyst activity. Among them, the redispersion of carbon-loaded precious metal catalysts under a high-temperature atmosphere suffers from the problem of carbon carriers being prone to carbonization. In this study, the sintered PdZn/AC catalysts could be redispersed at low temperatures by adding the additive Zn. Combined with TEM, XRD, XPS, and other characterization means, it was found that the main reason for the redispersion of the sintered catalysts was that the Zn additive could form an alloy with Pd, which promoted the formation of high-valent Pd species, which exfoliated into small particles by oxidation in the O<sub>2</sub>–CO atmosphere. In addition, the factors that influenced the process (Zn content, redispersion temperature, treatment time, and number of treatments) were investigated using the controlled variable method. The present work presents a new idea for recycling sintered precious metal catalysts.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130492"},"PeriodicalIF":4.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143379391","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2025-02-03DOI: 10.1016/j.matchemphys.2025.130501
Ghulam M. Mustafa , M. Umer Farooq , M. Adil Ameer , N.A. Noor , Yasir Saeed , Sohail Mumtaz , Khalid M. Elhindi
In recent years, double perovskites are emerging in the field of thermoelectrics and spintronics because of their unique properties. The present study aims to investigate the structure, mechanical, electronic, and magnetic response of Na2IrX6 (X = Cl, Br) double perovskites using density functional theory. The expansion of lattice parameters from 9.74 to 10.33 Å and reduction of bulk modulus from 48.63 to 39.91 GPa with the evolution of −1.57 and −1.41 eV enthalpy of formation is witnessd for Na2IrCl6 and Na2Irbr6, respectively. In spin up channel, the bandgap value is noticed as 2.8 and 2.2 eV for these compositions. The calculations of the magnetic moment show that these compositions possess the magnetic moment of ≈1 μB and most of this is contributed by Ir due to significant exchange splitting in its 5d-orbitals. Their half metallic ferromagnetic nature and suitable thermoelectric properties make them exciting candidates for spintronic, and thermoelectric applications.
{"title":"Investigations of mechanical, magnetic and thermoelectric properties of double perovskites Na2IrX6 (X=Cl, Br) for spintronic and energy harvesting applications","authors":"Ghulam M. Mustafa , M. Umer Farooq , M. Adil Ameer , N.A. Noor , Yasir Saeed , Sohail Mumtaz , Khalid M. Elhindi","doi":"10.1016/j.matchemphys.2025.130501","DOIUrl":"10.1016/j.matchemphys.2025.130501","url":null,"abstract":"<div><div>In recent years, double perovskites are emerging in the field of thermoelectrics and spintronics because of their unique properties. The present study aims to investigate the structure, mechanical, electronic, and magnetic response of Na<sub>2</sub>IrX<sub>6</sub> (X = Cl, Br) double perovskites using density functional theory. The expansion of lattice parameters from 9.74 to 10.33 Å and reduction of bulk modulus from 48.63 to 39.91 GPa with the evolution of −1.57 and −1.41 eV enthalpy of formation is witnessd for Na<sub>2</sub>IrCl<sub>6</sub> and Na<sub>2</sub>Irbr<sub>6</sub>, respectively. In spin up channel, the bandgap value is noticed as 2.8 and 2.2 eV for these compositions. The calculations of the magnetic moment show that these compositions possess the magnetic moment of ≈1 μ<sub>B</sub> and most of this is contributed by Ir due to significant exchange splitting in its 5<em>d</em>-orbitals. Their half metallic ferromagnetic nature and suitable thermoelectric properties make them exciting candidates for spintronic, and thermoelectric applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130501"},"PeriodicalIF":4.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2025-02-03DOI: 10.1016/j.matchemphys.2025.130482
Chen-hong Zhou, Hui-yong Niu, Hai-yan Wang, Yan-xiao Yang, Xiao-lu Liu
Hydraulic erosion and weathering compromise the internal integrity of coal gangue hills exposed to the elements, exacerbating oxidation and spontaneous combustion. Select Qipanjing coal gangue with high calorific value, volatile matter, and self-igniting qualities for experimentation and processing under various soaking conditions. This industrial analysis examines how immersion conditions affect coal gangue material qualities and burning. The changes in inorganic minerals and organic carbon-containing functional groups in coal gangue following immersion are examined using XRD and FTIR. Studies show: Soaking improves coal gangue combustion, especially at 30 %. Inorganic minerals leach during the early soaking phase, and soaking conditions affect their leaching rate. At 15–30 % immersion, coal gangue's functional groups susceptible to oxidation (alcohols, phenols, CO groups, etc.) increased significantly. The soaking method improved coal gangue composition and combustion, providing new insights for its holistic use.
{"title":"Effects of mineral leaching on combustion efficiency of coal gangue","authors":"Chen-hong Zhou, Hui-yong Niu, Hai-yan Wang, Yan-xiao Yang, Xiao-lu Liu","doi":"10.1016/j.matchemphys.2025.130482","DOIUrl":"10.1016/j.matchemphys.2025.130482","url":null,"abstract":"<div><div>Hydraulic erosion and weathering compromise the internal integrity of coal gangue hills exposed to the elements, exacerbating oxidation and spontaneous combustion. Select Qipanjing coal gangue with high calorific value, volatile matter, and self-igniting qualities for experimentation and processing under various soaking conditions. This industrial analysis examines how immersion conditions affect coal gangue material qualities and burning. The changes in inorganic minerals and organic carbon-containing functional groups in coal gangue following immersion are examined using XRD and FTIR. Studies show: Soaking improves coal gangue combustion, especially at 30 %. Inorganic minerals leach during the early soaking phase, and soaking conditions affect their leaching rate. At 15–30 % immersion, coal gangue's functional groups susceptible to oxidation (alcohols, phenols, C<img>O groups, etc.) increased significantly. The soaking method improved coal gangue composition and combustion, providing new insights for its holistic use.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130482"},"PeriodicalIF":4.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419415","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2025-02-03DOI: 10.1016/j.matchemphys.2025.130467
Yun-Wei Tsai , Roshni Yadav , Heng-Jui Liu
Piezocatalysis, an emerging advanced oxidation process (AOP) that converts mechanical energy into chemical energy, has gained significant attention in water remediation over the past decades. However, the precise origin of piezocatalysis remains a topic of debate. Two primary mechanisms have been proposed to explain the observed piezocatalytic behaviors: the screening charge effect and the energy band theory. The piezoelectric coefficient and band gap are identified as critical parameters associated with these mechanisms, respectively. This study investigates these key parameters using high entropy perovskites, specifically 0.25 Pb(Mg1/3Nb2/3)O3-0.3PbZrO3-0.45 Pb(TixHf1-x)O3 (PMNZTH), as a platform. The results demonstrate a positive correlation between dye removal efficiency and the piezoelectric coefficient, while an inverse relationship is observed with the band gap as the relative ratio between Ti and Hf elements varies. Notably, the PMNZTH sample with a Ti/(Ti + Hf) ratio of 0.625 exhibited the highest dye removal efficiency, possessing an optimal piezoelectric coefficient of 155 pC N−1 and the second largest band gap of 3.47 eV. These findings suggest that the screening charge effect is a more applicable mechanism for piezocatalysis. This work provides valuable insights into piezocatalysis mechanisms and proposes high-entropy material catalyst designs for water remediation.
{"title":"Unraveling the role of piezopotential on dye degradation efficiency using high entropy perovskite piezocatalysts","authors":"Yun-Wei Tsai , Roshni Yadav , Heng-Jui Liu","doi":"10.1016/j.matchemphys.2025.130467","DOIUrl":"10.1016/j.matchemphys.2025.130467","url":null,"abstract":"<div><div>Piezocatalysis, an emerging advanced oxidation process (AOP) that converts mechanical energy into chemical energy, has gained significant attention in water remediation over the past decades. However, the precise origin of piezocatalysis remains a topic of debate. Two primary mechanisms have been proposed to explain the observed piezocatalytic behaviors: the screening charge effect and the energy band theory. The piezoelectric coefficient and band gap are identified as critical parameters associated with these mechanisms, respectively. This study investigates these key parameters using high entropy perovskites, specifically 0.25 Pb(Mg<sub>1/3</sub>Nb<sub>2/3</sub>)O<sub>3</sub>-0.3PbZrO<sub>3</sub>-0.45 Pb(Ti<sub>x</sub>Hf<sub>1-x</sub>)O<sub>3</sub> (PMNZTH), as a platform. The results demonstrate a positive correlation between dye removal efficiency and the piezoelectric coefficient, while an inverse relationship is observed with the band gap as the relative ratio between Ti and Hf elements varies. Notably, the PMNZTH sample with a Ti/(Ti + Hf) ratio of 0.625 exhibited the highest dye removal efficiency, possessing an optimal piezoelectric coefficient of 155 pC N<sup>−1</sup> and the second largest band gap of 3.47 eV. These findings suggest that the screening charge effect is a more applicable mechanism for piezocatalysis. This work provides valuable insights into piezocatalysis mechanisms and proposes high-entropy material catalyst designs for water remediation.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130467"},"PeriodicalIF":4.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143099199","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2025-02-03DOI: 10.1016/j.matchemphys.2025.130490
E. Karvannan , V. Vijay , T.S. Nivin , M. Navaneethan , J. Archana , A. Karthigeyan
Bismuth sulphide (Bi2S3) is a V-VI group semiconductor, prominent in mid-temperature (303 K–623 K) thermoelectric applications. The performance of n-type bismuth sulfide is limited by its inherently low carrier concentration. Therefore, tuning the carrier concentration is essential prerequisite to achieve high performance. In this work, Bi2NixS3 (x = 0, 0.025, 0.050, and 0.075) samples were prepared through a solution-based hydrothermal method followed by the hot-press sintering technique. Herein, transition metal (Ni) introduction significantly enhances the carrier concentration to −8.08 × 1018 for Bi2NixS3 (x = 0.075) samples that reached the highest electrical conductivity of 9835 Sm-1 at 623 K. The Bi2NixS3 (x = 0.025) sample exhibits a remarkably low lattice thermal conductivity value of 0.53 Wm−1K−1 at 623 K, which is due to the enhanced multiple phonon scattering by edge dislocation, twin boundaries, and stacking faults respectively. Consequently, the addition of Ni enhances the transport properties and reduces the intrinsic defects to achieve a combination of high power factor and low-phonon thermal conductivity to obtain a high thermoelectric zT value of 0.16 at 623 K for Bi2NixS3 (x = 0.075) sample.
{"title":"Tailoring charge carrier dynamics for improved thermoelectric properties in nickel-incorporated Bi₂S₃","authors":"E. Karvannan , V. Vijay , T.S. Nivin , M. Navaneethan , J. Archana , A. Karthigeyan","doi":"10.1016/j.matchemphys.2025.130490","DOIUrl":"10.1016/j.matchemphys.2025.130490","url":null,"abstract":"<div><div>Bismuth sulphide (Bi<sub>2</sub>S<sub>3</sub>) is a V-VI group semiconductor, prominent in mid-temperature (303 K–623 K) thermoelectric applications. The performance of n-type bismuth sulfide is limited by its inherently low carrier concentration. Therefore, tuning the carrier concentration is essential prerequisite to achieve high performance<strong>.</strong> In this work, Bi<sub>2</sub>Ni<sub>x</sub>S<sub>3</sub> (x = 0, 0.025, 0.050, and 0.075) samples were prepared through a solution-based hydrothermal method followed by the hot-press sintering technique. Herein, transition metal (Ni) introduction significantly enhances the carrier concentration to −8.08 × 10<sup>18</sup> for Bi<sub>2</sub>Ni<sub>x</sub>S<sub>3</sub> (x = 0.075) samples that reached the highest electrical conductivity of 9835 Sm<sup>-1</sup> at 623 K. The Bi<sub>2</sub>Ni<sub>x</sub>S<sub>3</sub> (x = 0.025) sample exhibits a remarkably low lattice thermal conductivity value of 0.53 Wm<sup>−1</sup>K<sup>−1</sup> at 623 K, which is due to the enhanced multiple phonon scattering by edge dislocation, twin boundaries, and stacking faults respectively. Consequently, the addition of Ni enhances the transport properties and reduces the intrinsic defects to achieve a combination of high power factor and low-phonon thermal conductivity to obtain a high thermoelectric zT value of 0.16 at 623 K for Bi<sub>2</sub>Ni<sub>x</sub>S<sub>3</sub> (x = 0.075) sample.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130490"},"PeriodicalIF":4.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143418840","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2025-02-03DOI: 10.1016/j.matchemphys.2025.130493
A. Negahban, M. Shamsi, M. Sedighi
The present study investigates the influence of shot peening on the corrosion resistance of Mg-2.5HA biocomposites within a simulated body fluid environment. Utilizing response surface methodology, this research examined the effects of shot peening parameters, including air nozzle pressure, nozzle-to-sample distance, and duration, on the biocomposites. Comprehensive microstructure observations, surface roughness assessments, and hardness evaluations were conducted on samples subjected to varied shot peening parameter settings. Corrosion tests revealed that samples peened at pressures of 2 and 3.5 bar for a duration of 1 min exhibited reduced corrosion rates of 5.96 and 5.47 mm/y, respectively, in comparison to the initial rate of 7.40 mm/y. It was observed that increasing nozzle pressure or extending peening duration led to a decline in corrosion resistance. The nozzle-to-sample distance, ranging between 90 and 130 mm, appeared to exert a negligible effect on the outcomes. The application of shot peening resulted in an accelerated formation of passivation layers, attributed to the presence of ultra-refined surface grains and increased surface roughness. In contrast, lower shot peening pressures and shorter durations yielded reduced surface roughness, thereby enhancing corrosion resistance. The response surface methodology model, developed to evaluate the 1-day corrosion rate and the pH of the simulated body fluid, demonstrated satisfactory accuracy with R-squared values of 89.07 % and 95.19 %, respectively. Consequently, an optimized shot-peening process can effectively regulate the degradation rate of Mg-based composite implants.
{"title":"In vitro corrosion behavior of Magnesium/2.5%HA biocomposites under different shot peening parameters","authors":"A. Negahban, M. Shamsi, M. Sedighi","doi":"10.1016/j.matchemphys.2025.130493","DOIUrl":"10.1016/j.matchemphys.2025.130493","url":null,"abstract":"<div><div>The present study investigates the influence of shot peening on the corrosion resistance of Mg-2.5HA biocomposites within a simulated body fluid environment. Utilizing response surface methodology, this research examined the effects of shot peening parameters, including air nozzle pressure, nozzle-to-sample distance, and duration, on the biocomposites. Comprehensive microstructure observations, surface roughness assessments, and hardness evaluations were conducted on samples subjected to varied shot peening parameter settings. Corrosion tests revealed that samples peened at pressures of 2 and 3.5 bar for a duration of 1 min exhibited reduced corrosion rates of 5.96 and 5.47 mm/y, respectively, in comparison to the initial rate of 7.40 mm/y. It was observed that increasing nozzle pressure or extending peening duration led to a decline in corrosion resistance. The nozzle-to-sample distance, ranging between 90 and 130 mm, appeared to exert a negligible effect on the outcomes. The application of shot peening resulted in an accelerated formation of passivation layers, attributed to the presence of ultra-refined surface grains and increased surface roughness. In contrast, lower shot peening pressures and shorter durations yielded reduced surface roughness, thereby enhancing corrosion resistance. The response surface methodology model, developed to evaluate the 1-day corrosion rate and the pH of the simulated body fluid, demonstrated satisfactory accuracy with R-squared values of 89.07 % and 95.19 %, respectively. Consequently, an optimized shot-peening process can effectively regulate the degradation rate of Mg-based composite implants.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130493"},"PeriodicalIF":4.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143350277","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2025-02-03DOI: 10.1016/j.matchemphys.2025.130496
Raira Chefer Apolinario , Galtiere Corrêa Rêgo , Alisson Mendes Rodrigues , Diego David da Silva , Carlos Alberto Ospina Ramirez , Qing Zhou , Christian Greiner , Jéferson Aparecido Moreto , Haroldo Cavalcanti Pinto
This research investigated multilayer coatings created on AISI 304L steel by using physical vapor deposition associated with high-power impulse magnetron sputtering and dynamic glancing angle deposition. The coatings were subject to an extensive analysis, which included structural, electrochemical, mechanical, and tribological. The findings indicated that the coatings exhibited a periodic zig-zag nanostructure characterized by a corrugated pattern in the sublayers. This architecture was achieved through the dynamic modulation of the angular coordinates of the vapor source. The hardness an upward trend from 25 GPa (no substrate oscillation, 0°) to approximately 33 GPa for intermediate pendular displacements of ±10° and ±15°. Wear performance was most effective for pendular displacements of ±5°, ±10°, and ±15°, showcasing significantly reduced wear rates. The ±10° condition exhibited wear volumes approximately 7.5 and 5 times smaller compared to the 0° and ±25° conditions, respectively. The conditions of ±5°, ±10°, and ±15° exhibited a corrosion protection efficiency exceeding 98 %, whereas the 0° condition demonstrated an efficiency of merely 58 % when exposed to a 0.5 mol L⁻1 sulfuric acid solution.
{"title":"Corrosion and tribological behavior of Cr–Y–N multilayers grown by HIPIMS as a function of progressive changes in the coating architecture","authors":"Raira Chefer Apolinario , Galtiere Corrêa Rêgo , Alisson Mendes Rodrigues , Diego David da Silva , Carlos Alberto Ospina Ramirez , Qing Zhou , Christian Greiner , Jéferson Aparecido Moreto , Haroldo Cavalcanti Pinto","doi":"10.1016/j.matchemphys.2025.130496","DOIUrl":"10.1016/j.matchemphys.2025.130496","url":null,"abstract":"<div><div>This research investigated multilayer coatings created on AISI 304L steel by using physical vapor deposition associated with high-power impulse magnetron sputtering and dynamic glancing angle deposition. The coatings were subject to an extensive analysis, which included structural, electrochemical, mechanical, and tribological. The findings indicated that the coatings exhibited a periodic zig-zag nanostructure characterized by a corrugated pattern in the sublayers. This architecture was achieved through the dynamic modulation of the angular coordinates of the vapor source. The hardness an upward trend from 25 GPa (no substrate oscillation, 0°) to approximately 33 GPa for intermediate pendular displacements of ±10° and ±15°. Wear performance was most effective for pendular displacements of ±5°, ±10°, and ±15°, showcasing significantly reduced wear rates. The ±10° condition exhibited wear volumes approximately 7.5 and 5 times smaller compared to the 0° and ±25° conditions, respectively. The conditions of ±5°, ±10°, and ±15° exhibited a corrosion protection efficiency exceeding 98 %, whereas the 0° condition demonstrated an efficiency of merely 58 % when exposed to a 0.5 mol L⁻<sup>1</sup> sulfuric acid solution.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130496"},"PeriodicalIF":4.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143418831","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2025-02-03DOI: 10.1016/j.matchemphys.2025.130461
Ali Rezaei , Ramezan Ali Taheri , Mehdi Rahimi-Nasrabadi , Morteza Mirzaei
This study presents an approach for the degradation of the organophosphorus pesticide diazinon in wastewater through the electro-Fenton (EF) process, utilizing nanocomposites of Co-NC/FeTiO3 as cathode electrodes. Diazinon, a pesticide with moderate water solubility, is classified by the WHO as 'moderately hazardous' and presents considerable risks to both the environment and human health, highlighting the need for efficient treatment solutions. The EF process, a prominent advanced oxidation process, relies on the generation of hydroxyl radicals for pollutant degradation. This research integrates metal-organic frameworks (MOFs) and perovskite materials, capitalizing on their structural and functional attributes to enhance catalytic performance in EF reactions. The synthesized Co-NC/FeTiO3 nanocomposites, characterized by techniques including XRD, FE-SEM, EDS, and XPS, exhibit remarkable surface properties and electron transfer capabilities, crucial for the electrogeneration of hydrogen peroxide and subsequent hydroxyl radical production. Parameter optimization was conducted using response surface methodology, with results indicating the optimal values for current density, pH, initial diazinon concentration, and process time with Co-NC/FeTiO3 as the cathode were 350 mA cm−2, 4, 15 mg L−1, and 40 min, respectively. Under these conditions, 97.18 % of diazinon was removed. This work demonstrates the potential of engineered nanocomposites and optimization methodologies in enhancing the degradation efficiency of persistent organic pollutants in electrochemical wastewater treatment.
{"title":"Innovative electro-Fenton approach: Co-NC/FeTiO3 for enhanced diazinon removal from wastewater","authors":"Ali Rezaei , Ramezan Ali Taheri , Mehdi Rahimi-Nasrabadi , Morteza Mirzaei","doi":"10.1016/j.matchemphys.2025.130461","DOIUrl":"10.1016/j.matchemphys.2025.130461","url":null,"abstract":"<div><div>This study presents an approach for the degradation of the organophosphorus pesticide diazinon in wastewater through the electro-Fenton (EF) process, utilizing nanocomposites of Co-NC/FeTiO<sub>3</sub> as cathode electrodes. Diazinon, a pesticide with moderate water solubility, is classified by the WHO as 'moderately hazardous' and presents considerable risks to both the environment and human health, highlighting the need for efficient treatment solutions. The EF process, a prominent advanced oxidation process, relies on the generation of hydroxyl radicals for pollutant degradation. This research integrates metal-organic frameworks (MOFs) and perovskite materials, capitalizing on their structural and functional attributes to enhance catalytic performance in EF reactions. The synthesized Co-NC/FeTiO<sub>3</sub> nanocomposites, characterized by techniques including XRD, FE-SEM, EDS, and XPS, exhibit remarkable surface properties and electron transfer capabilities, crucial for the electrogeneration of hydrogen peroxide and subsequent hydroxyl radical production. Parameter optimization was conducted using response surface methodology, with results indicating the optimal values for current density, pH, initial diazinon concentration, and process time with Co-NC/FeTiO<sub>3</sub> as the cathode were 350 mA cm<sup>−2</sup>, 4, 15 mg L<sup>−1</sup>, and 40 min, respectively. Under these conditions, 97.18 % of diazinon was removed. This work demonstrates the potential of engineered nanocomposites and optimization methodologies in enhancing the degradation efficiency of persistent organic pollutants in electrochemical wastewater treatment.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130461"},"PeriodicalIF":4.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143094464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2025-02-02DOI: 10.1016/j.matchemphys.2025.130476
Cemal Aslan , Mert Zoraga , Sedat Ilhan , Ahmet Orkun Kalpakli
<div><div>Cobalt, a strategically important metal, has become increasingly consumed in last two decades, mainly due to its use in lithium-ion batteries (LIBs). Thus, cobalt recovery from spent LIBs and other cobalt bearing secondary sources are critical. Since most of cobalt recovery processes are based on hydrometallurgical processes, it is important to understand the aqueous chemistry and precipitation behaviour of cobalt. In this paper, CoC<sub>2</sub>O<sub>4</sub>·2H<sub>2</sub>O and Co(OH)(CO<sub>3</sub>)<sub>0.5</sub>·nH<sub>2</sub>O were synthesized by chemical precipitation technique. These compounds were obtained by precipitation of Co(NO<sub>3</sub>)<sub>2</sub>·6H<sub>2</sub>O solutions in the presence of anhydrous oxalic acid (H<sub>2</sub>C<sub>2</sub>O<sub>4</sub>) and ammonium carbonate (AC) solutions, respectively. The precipitation mechanisms were elucidated by the thermodynamic models derived. Non-linear equations obtained by deriving the equilibrium constants and solubility product equations, the mass equivalence equations of the components and the charge equivalence equations of the dissolved ions were solved by WolframAlpha program and the modelling was carried out. The precipitated compounds were characterized by TG/DTA-MS, ICP-OES, XRD and FT-IR analytical techniques. When 50 % more than the stoichiometric amount of oxalic acid required to precipitate CoC<sub>2</sub>O<sub>4</sub> is used, the solubility of Co<sup>2+</sup> decreases due to the common ion effect as the <span><math><mrow><msub><mi>C</mi><mn>2</mn></msub><msubsup><mi>O</mi><mn>4</mn><mrow><mn>2</mn><mo>‐</mo></mrow></msubsup></mrow></math></span> concentration in the solution increases and the formation efficiency of CoC<sub>2</sub>O<sub>4</sub> precipitate increases from 93.12 % to 98.51 %. For dilute conditions, when the amount of oxalic acid used exceeded 50 % (140 % in this study), <span><math><mrow><mtext>Co</mtext><msup><mrow><mo>(</mo><mrow><msub><mtext>HC</mtext><mn>2</mn></msub><msub><mi>O</mi><mn>4</mn></msub></mrow><mo>)</mo></mrow><mo>+</mo></msup></mrow></math></span> was formed and passed into solution. Therefore, the dissolution of CoC<sub>2</sub>O<sub>4</sub> and the formation of Co<sup>2+</sup> in acidic medium negatively affected the formation efficiency of CoC<sub>2</sub>O<sub>4</sub> precipitate (97.75 %). The precipitate was confirmed to be CoC<sub>2</sub>O<sub>4</sub>·2H<sub>2</sub>O by TG-DTA analysis (theoretical 59.05 %, experimental 59.03 % weight loss for CoC<sub>2</sub>O<sub>4</sub>·2H<sub>2</sub>O → CoO conversion) and XRD analysis. Co(OH)(CO<sub>3</sub>)<sub>0.5</sub>·0.5H<sub>2</sub>O which has the lowest solubility was precipitated among the cobalt compounds that can precipitate at pH values between 8.404 and 8.814 (Co(OH)<sub>2</sub>, CoCO<sub>3</sub>, Co(OH)(CO<sub>3</sub>)<sub>0.5</sub>). The formation efficiency of Co(OH)(CO<sub>3</sub>)<sub>0.5</sub>·0.5H<sub>2</sub>O precipitate was 99.9 %. The precipitate was confirmed to
{"title":"Thermodynamic modelling of the chemical precipitation synthesis of CoC2O4·2H2O from acidic solution and Co(OH)(CO3)0.5·nH2O from basic solution","authors":"Cemal Aslan , Mert Zoraga , Sedat Ilhan , Ahmet Orkun Kalpakli","doi":"10.1016/j.matchemphys.2025.130476","DOIUrl":"10.1016/j.matchemphys.2025.130476","url":null,"abstract":"<div><div>Cobalt, a strategically important metal, has become increasingly consumed in last two decades, mainly due to its use in lithium-ion batteries (LIBs). Thus, cobalt recovery from spent LIBs and other cobalt bearing secondary sources are critical. Since most of cobalt recovery processes are based on hydrometallurgical processes, it is important to understand the aqueous chemistry and precipitation behaviour of cobalt. In this paper, CoC<sub>2</sub>O<sub>4</sub>·2H<sub>2</sub>O and Co(OH)(CO<sub>3</sub>)<sub>0.5</sub>·nH<sub>2</sub>O were synthesized by chemical precipitation technique. These compounds were obtained by precipitation of Co(NO<sub>3</sub>)<sub>2</sub>·6H<sub>2</sub>O solutions in the presence of anhydrous oxalic acid (H<sub>2</sub>C<sub>2</sub>O<sub>4</sub>) and ammonium carbonate (AC) solutions, respectively. The precipitation mechanisms were elucidated by the thermodynamic models derived. Non-linear equations obtained by deriving the equilibrium constants and solubility product equations, the mass equivalence equations of the components and the charge equivalence equations of the dissolved ions were solved by WolframAlpha program and the modelling was carried out. The precipitated compounds were characterized by TG/DTA-MS, ICP-OES, XRD and FT-IR analytical techniques. When 50 % more than the stoichiometric amount of oxalic acid required to precipitate CoC<sub>2</sub>O<sub>4</sub> is used, the solubility of Co<sup>2+</sup> decreases due to the common ion effect as the <span><math><mrow><msub><mi>C</mi><mn>2</mn></msub><msubsup><mi>O</mi><mn>4</mn><mrow><mn>2</mn><mo>‐</mo></mrow></msubsup></mrow></math></span> concentration in the solution increases and the formation efficiency of CoC<sub>2</sub>O<sub>4</sub> precipitate increases from 93.12 % to 98.51 %. For dilute conditions, when the amount of oxalic acid used exceeded 50 % (140 % in this study), <span><math><mrow><mtext>Co</mtext><msup><mrow><mo>(</mo><mrow><msub><mtext>HC</mtext><mn>2</mn></msub><msub><mi>O</mi><mn>4</mn></msub></mrow><mo>)</mo></mrow><mo>+</mo></msup></mrow></math></span> was formed and passed into solution. Therefore, the dissolution of CoC<sub>2</sub>O<sub>4</sub> and the formation of Co<sup>2+</sup> in acidic medium negatively affected the formation efficiency of CoC<sub>2</sub>O<sub>4</sub> precipitate (97.75 %). The precipitate was confirmed to be CoC<sub>2</sub>O<sub>4</sub>·2H<sub>2</sub>O by TG-DTA analysis (theoretical 59.05 %, experimental 59.03 % weight loss for CoC<sub>2</sub>O<sub>4</sub>·2H<sub>2</sub>O → CoO conversion) and XRD analysis. Co(OH)(CO<sub>3</sub>)<sub>0.5</sub>·0.5H<sub>2</sub>O which has the lowest solubility was precipitated among the cobalt compounds that can precipitate at pH values between 8.404 and 8.814 (Co(OH)<sub>2</sub>, CoCO<sub>3</sub>, Co(OH)(CO<sub>3</sub>)<sub>0.5</sub>). The formation efficiency of Co(OH)(CO<sub>3</sub>)<sub>0.5</sub>·0.5H<sub>2</sub>O precipitate was 99.9 %. The precipitate was confirmed to ","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130476"},"PeriodicalIF":4.3,"publicationDate":"2025-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143379371","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}