Oxford open materials science最新文献

Is electrostrain > 1% in oxygen deficient Na0.5Bi0.5TiO3 a composition effect? 在缺氧的 Na0.5Bi0.5TiO3 中，电应变 > 1% 是否是成分的影响？

Oxford open materials science Pub Date : 2023-11-22 DOI: 10.1093/oxfmat/itad021

Getaw Abebe Tina, Gudeta Jafo Muleta, Gobinda Das Adhikary, Rajeev Ranjan

引用次数: 0

Bio-based materials for antimicrobial films in food applications: Beyond the COVID-19 pandemic era 食品应用中用于抗菌膜的生物基材料:超越COVID-19大流行时代

Oxford open materials science Pub Date : 2023-08-23 DOI: 10.1093/oxfmat/itad016

Bharath Perumal Pillai, Bhuvaneshwari Balasubramaniam, Raju Kumar Gupta, Ankit Tyagi

引用次数: 0

Lacunarity as a quantitative measure of mixing—a micro-CT analysis-based case study on granular materials 空隙率作为混合的一种定量测量方法——基于微CT分析的颗粒材料实例研究

Oxford open materials science Pub Date : 2023-08-18 DOI: 10.1093/oxfmat/itad014

L. Vásárhelyi, D. Sebők, Imre Szenti, Ádám Tóth, Sára Lévay, R. Vajtai, Z. Kónya, Á. Kukovecz

引用次数: 0

Wear behavior of nano-La2O3 dispersed ferritic ODS steel developed by spark plasma sintering 火花等离子烧结制备纳米la2o3分散铁素体ODS钢的磨损性能

Oxford open materials science Pub Date : 2023-08-01 DOI: 10.1093/oxfmat/itad013

Ashwani Kumar, A. Prasad, B. Jayabalan, S. Mukherjee, J. Jain, Krishanu Biswas, S. Singh

{"title":"Wear behavior of nano-La2O3 dispersed ferritic ODS steel developed by spark plasma sintering","authors":"Ashwani Kumar, A. Prasad, B. Jayabalan, S. Mukherjee, J. Jain, Krishanu Biswas, S. Singh","doi":"10.1093/oxfmat/itad013","DOIUrl":"https://doi.org/10.1093/oxfmat/itad013","url":null,"abstract":"\u0000 In the present study, the wear behavior of the Fe-14Cr-1Ti-1W-0.5L2O3 oxide dispersion strengthened (ODS) steels has been reported. The ball-on-disc wear tester with SiC ball as counter surface was used to perform the wear tests. The effect of normal load (10 to 40 N with the interval of 10 N) on the wear behavior of the alloy has been investigated. Further, to understand the operative wear mechanism of the alloy, detailed microstructural and compositional analyses have also been carried out using scanning electron microscopy (SEM). The highest width of wear track was obtained as 896 ± 78 µm at 40 N normal load. The wear rate of the alloy was found to increase from 4.54 ±0.12 × 10-6 mm3/m to 25.48 ±1.15 × 10-6 mm3/m with the normal load from 10 to 40 N at constant sliding velocity and distance. Moreover, the microstructure analyses of the worn surfaces, wear debris and counter surface have shown the prominent wear mechanism to be combination of adhesion, abrasion, oxidation and plastic deformation. Addition of lanthana was found to reduce the wear rate of ferritic steels.","PeriodicalId":74385,"journal":{"name":"Oxford open materials science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42121524","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Reusable and Thermostable Multiwalled Carbon Nanotubes Membrane for Efficient Removal of Benz[α]Anthracene from Cigarette Smoke 可重复使用和耐热的多壁碳纳米管膜高效去除香烟烟雾中的苯并[α]蒽

Oxford open materials science Pub Date : 2023-07-18 DOI: 10.1093/oxfmat/itad012

P. Vishwakarma, S. Pandey, Anshu Kumar Singh, Sanny Rathore, K. Ram, Rajiv Giri, A. Srivastava

引用次数: 1

Catalyst-Free Biphasic Orthorhombic/Hexagonal Tungsten Oxide System with Enhanced Photocatalytic Response Under Visible Light 可见光下增强光催化响应的无催化剂双相正交/六方氧化钨体系

Oxford open materials science Pub Date : 2023-05-25 DOI: 10.1093/oxfmat/itad009

Anshu Kumar Singh, S. Pandey, P. Vishwakarma, Raghvendra Pratap, Ranjana Verma, Anamika Pandey, Rajiv Giri, A. Srivastava

{"title":"Catalyst-Free Biphasic Orthorhombic/Hexagonal Tungsten Oxide System with Enhanced Photocatalytic Response Under Visible Light","authors":"Anshu Kumar Singh, S. Pandey, P. Vishwakarma, Raghvendra Pratap, Ranjana Verma, Anamika Pandey, Rajiv Giri, A. Srivastava","doi":"10.1093/oxfmat/itad009","DOIUrl":"https://doi.org/10.1093/oxfmat/itad009","url":null,"abstract":"\u0000 These days, textile industries pose a more significant threat to surface water and groundwater sources directly or indirectly by discharging wastewater containing various dyes and organic pollutants to these water sources. The phase-junction-engineered heterogeneous photocatalysis carried out by visible-light-driven semiconductor photocatalysts is opening a new window for the degradation of environmental organic pollutants. In this work, we have reported a one-step bottom-up hydrothermal synthesis of biphasic tungsten oxide (o/h-WO3) and performed a photodegradation experiment under visible light irradiation for the efficient degradation of organic pollutants such as Methylene blue (MB) methyl violet (MV), respectively. The XRD, RAMAN, TEM, and UV-vis characterization techniques were used to investigate the structural, morphological, and optical properties of the as-synthesized o/h-WO3. Moreover, the low calculated band gap ( ̴ 2.8 eV) and the anionic nature of o/h-WO3 suggest it as an efficient visible-light-driven photocatalyst suitable for heterogeneous photocatalysis. The photodegradation experiment performed under visible light using o/h-WO3 photocatalyst showed better degradation efficiency of 71% and 89% for MB and MV, respectively, in 100 min. The dyes followed first-order kinetics, and their kinetic rate constants were calculated using the Langmuir-Hinshelwood model. Furthermore, the recyclability study of the photocatalyst was also performed and discussed the underlying mechanism for the photodegradation of the organic dyes.","PeriodicalId":74385,"journal":{"name":"Oxford open materials science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41518009","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Thermoelectricity in Ag/Cu based complex crystal structure minerals with inherent low thermal conductivity 银/铜基复杂晶体结构矿物的热电性，其固有的低导热性

Oxford open materials science Pub Date : 2023-05-04 DOI: 10.1093/oxfmat/itad005

Kewal Singh Rana, A. Soni

{"title":"Thermoelectricity in Ag/Cu based complex crystal structure minerals with inherent low thermal conductivity","authors":"Kewal Singh Rana, A. Soni","doi":"10.1093/oxfmat/itad005","DOIUrl":"https://doi.org/10.1093/oxfmat/itad005","url":null,"abstract":"\u0000 Inherently poor lattice thermal conductivity (κL) is highly desired for applications like thermoelectricity, thermal management in electronics, thermal barrier coatings and refractories. Recently, complex crystalline materials have drawn serious scientific attention because of various interesting underlying physical phenomena which explain the unique thermal properties. In this review, we have discussed various interesting concepts and their consequences leading to ultralow κL in complex bulk chalcogenide minerals having multiple scattering channels for heat carrying phonons. The primary focus of this review is on the Ag and Cu based large unit cell structures with low heat capacity and a liquid-like superionic conduction of cations. The Ag/Cu sublattice of these materials that followed the phonon-liquid electron crystal concept strongly reduces the transportation of phonons and enhances the scattering process. The presence of large number of atoms in the unit cell result in low acoustic phonons cut-off frequency, robust acoustic-optical phonons scattering, poor sound velocity and strong crystal anharmonicity inside the crystalline lattice.","PeriodicalId":74385,"journal":{"name":"Oxford open materials science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46545007","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 2

DFT and TD-DFT study of Optical and Electronic Properties of new donor-acceptor-donor (D-A-Dˈ) monomers for polymer solar cells 聚合物太阳能电池新型给体-受体-给体(D-A-D)单体的光学和电子性质的DFT和TD-DFT研究

Oxford open materials science Pub Date : 2023-03-21 DOI: 10.1093/oxfmat/itad003

Melchizedek Lyakurwa, Surendra Babu Numbury

{"title":"DFT and TD-DFT study of Optical and Electronic Properties of new donor-acceptor-donor (D-A-Dˈ) monomers for polymer solar cells","authors":"Melchizedek Lyakurwa, Surendra Babu Numbury","doi":"10.1093/oxfmat/itad003","DOIUrl":"https://doi.org/10.1093/oxfmat/itad003","url":null,"abstract":"\u0000 The DFT and TD-DFT method with Becke three-parameter Lee-Yang–Parr functional (B3LYP) approach at a basis set of 6-311G was used to analyze the ground state and excited state properties of newly designed D-A-D’ donor molecules based on triphenylamine and carbazole as donor units and benzothiadiazole and its derivatives as acceptor units to make a total of nine (9) potential monomers. The energies associated with highest occupied molecular orbital (HOMO), lowest occupied molecular orbital (LUMO), bandgap (Eg), electron excitation (Eopt), exciton binding (Eb) and open-circuit voltage (Voc) were calculated and the simulated absorption spectra in both gas and chlorobenzene solvent were plotted. The outcomes of replacing the acceptor building unit and substituting the donor units to tailor the optoelectronic properties of the designed monomers were discussed. The monomer molecules A7, A8 and A9 are suitable for BHJ-SCs because of their small Eg, Eopt, Eb and, more importantly, large Voc values. Suggesting changing the acceptor unit and substituting the donor units of the D-A-D’ seem to be an excellent approach to tailoring the optoelectronic properties of the molecules.","PeriodicalId":74385,"journal":{"name":"Oxford open materials science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44015949","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Excitons and trions with negative effective masses in two-dimensional semiconductors 二维半导体中具有负有效质量的激子和三角子

Oxford open materials science Pub Date : 2023-01-27 DOI: 10.1093/oxfmat/itad004

M. A. Semina, J. V. Mamedov, M. Glazov

引用次数: 1

Large Enhancement of Thermal Conductivity of Aluminum–Reduced Graphene Oxide Composites Prepared by a Single-Step Method 一步法制备的铝还原氧化石墨烯复合材料的热导率大幅度提高

Oxford open materials science Pub Date : 2023-01-09 DOI: 10.1093/oxfmat/itac015

A. Mitra, M. Sahoo, Aiswarya Samal, S. Pradhan, Balaram Polai, Krishna R. Sahoo, S. Kar, B. K. Satpathy, T. N. Narayanan, P. Ajayan, P. V. Satyam, S. Nayak

{"title":"Large Enhancement of Thermal Conductivity of Aluminum–Reduced Graphene Oxide Composites Prepared by a Single-Step Method","authors":"A. Mitra, M. Sahoo, Aiswarya Samal, S. Pradhan, Balaram Polai, Krishna R. Sahoo, S. Kar, B. K. Satpathy, T. N. Narayanan, P. Ajayan, P. V. Satyam, S. Nayak","doi":"10.1093/oxfmat/itac015","DOIUrl":"https://doi.org/10.1093/oxfmat/itac015","url":null,"abstract":"\u0000 Metal Matrix Composites (MMCs) have attracted extensive attention from both the research and industrial perspective. In this study, we prepared aluminum–reduced graphene oxide (Al–rGO) composites with enhanced thermal conductivity in an easy single-step process. Pristine Al shows a thermal conductivity of 175 Wm−1K−1 (standard deviation < 5%), which increases to 293 Wm−1K−1 for an Al–rGO composite with 1% rGO. Analysis of theoretical models shows that a higher percentage of rGO inside the Al matrix creates a continuous network resulting in more available phase space through which heat carrier phonons travel with less scattering, and hence thermal conductivity of the composite increases. Furthermore, Al–rGO composites show an approximately 5% increase in microhardness compared with pristine Al. The electrical resistivity of the composite is comparable to that of pristine Al for a narrow weight percentage of rGO, whereas a 70% enhancement in the thermal conductivity of the composite is observed for the same weight percentage range, suggesting possibilities for exploiting both high electrical and thermal conductivities for various applications.","PeriodicalId":74385,"journal":{"name":"Oxford open materials science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46954324","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0