Bulletin of Materials Science最新文献

筛选
英文 中文
Understanding electrochemical chlorine evolution process of ultrafine spinel cobalt oxide nanoparticles 了解超细尖晶氧化钴纳米粒子的电化学氯演化过程
IF 1.9 4区 材料科学
Bulletin of Materials Science Pub Date : 2024-10-26 DOI: 10.1007/s12034-024-03347-5
Kritika Sood, K K Bhasin, Menaka Jha
{"title":"Understanding electrochemical chlorine evolution process of ultrafine spinel cobalt oxide nanoparticles","authors":"Kritika Sood,&nbsp;K K Bhasin,&nbsp;Menaka Jha","doi":"10.1007/s12034-024-03347-5","DOIUrl":"10.1007/s12034-024-03347-5","url":null,"abstract":"<div><p>The present work investigates electrochemical oxidation of chlorine using cobalt oxide (Co<sub>3</sub>O<sub>4</sub>) nanoparticles synthesized through a co-precipitation method, resulting in a cubic lattice structure with space group Fd-3m (227). This study demonstrates that Co<sub>3</sub>O<sub>4</sub> nanoparticles exhibit superior performance compared to noble electrocatalysts in chlorine evolution reactions (CERs). Key electrocatalytic parameters were optimized, with Co<sub>3</sub>O<sub>4</sub> achieving an overpotential of 120 mV at a current density of 10 mA cm<sup>−2</sup>, a Tafel slope of 112 mV d<sup>−1</sup> and a charge transfer resistance of 9.6 Ω. Additionally, wettability results revealed that cobalt oxide possesses minimal hydrophobicity, which helps in faster chlorine evolution process. We believe, this study provides valuable addition in understanding the designing of effective electrocatalysts for CER.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142519126","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Influence of alloying element Nb on the γ′ phase structure and mechanical properties of Co–8.8Al–9.8W alloy 合金元素 Nb 对 Co-8.8Al-9.8W 合金的γ′相结构和力学性能的影响
IF 1.9 4区 材料科学
Bulletin of Materials Science Pub Date : 2024-10-26 DOI: 10.1007/s12034-024-03297-y
Wenjie Geng, Tongchao Wang, Yangtao Xu
{"title":"Influence of alloying element Nb on the γ′ phase structure and mechanical properties of Co–8.8Al–9.8W alloy","authors":"Wenjie Geng,&nbsp;Tongchao Wang,&nbsp;Yangtao Xu","doi":"10.1007/s12034-024-03297-y","DOIUrl":"10.1007/s12034-024-03297-y","url":null,"abstract":"<div><p>Effect of Nb element on the microstructure and mechanical properties of Co–8.8Al–9.8W superalloy was analysed by studying the occupancy of Nb element in the lattice and difference in the microstructure evolution during deformation. The calculation results show that Nb atom occupies the first priority position of Al<sub>2</sub> and the second priority position of W<sub>6</sub>, forming a γ′ phase doped structure, and its strength, hardness and structural stability are improved. In the process of high-temperature deformation, the dislocations of 0Nb alloy have the mechanisms of cutting and bypassing, which makes strengthening phase rafting phenomenon, and dislocation propagation in 2Nb alloy is difficult, and there are a lot of stacking faults. Compared to 0Nb alloy, 2Nb alloy has improved nano-indentation hardness and elasticity modulus.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142519127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Study of structure and properties of dual-size grain copper matrix composites prepared by NbC and rare earth element La 用 NbC 和稀土元素 La 制备的双尺寸晶粒铜基复合材料的结构和性能研究
IF 1.9 4区 材料科学
Bulletin of Materials Science Pub Date : 2024-10-23 DOI: 10.1007/s12034-024-03332-y
Ming Wen, Jingwei Li, Zengwu Zhao
{"title":"Study of structure and properties of dual-size grain copper matrix composites prepared by NbC and rare earth element La","authors":"Ming Wen,&nbsp;Jingwei Li,&nbsp;Zengwu Zhao","doi":"10.1007/s12034-024-03332-y","DOIUrl":"10.1007/s12034-024-03332-y","url":null,"abstract":"<div><p>Copper matrix composites with NbC content of 1 wt.% and La content of 0.02 wt.%, 0.04 wt.%, 0.06 wt.%, and 0.08 wt.% were prepared by high-energy ball milling and spark plasma sintering using rare earth element La, ceramic particle NbC, and electrolytic copper powder as raw materials. The effects of different La content on the properties of NbC-Cu composites were discussed by observing the microstructure of La-NbC-Cu composites and testing the hardness and conductivity. When the content of La is 0.06 wt.%, the La-NbC-Cu composite has a hardness of 62 HV and a good conductivity of 76.5% IACS. At this time, the internal stress of the material is reduced and ultrafine grains appear. Then, with the increase of La element, when the content of La is 0.08 wt.%, the hardness of copper matrix composites decreases due to the enrichment of La atoms on the surface of the reinforced phase.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142518533","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation on non-uniform oxidation behaviour in dendritic and interdendritic regions in a single-crystal Ni-based superalloy 关于单晶镍基超级合金树枝状和树枝状间区域非均匀氧化行为的研究
IF 1.9 4区 材料科学
Bulletin of Materials Science Pub Date : 2024-10-22 DOI: 10.1007/s12034-024-03333-x
Ze-Lei Wang, Ye-Bing Hu, Tie-Shan Cao, Cong-Qian Cheng, Jie Zhao
{"title":"Investigation on non-uniform oxidation behaviour in dendritic and interdendritic regions in a single-crystal Ni-based superalloy","authors":"Ze-Lei Wang,&nbsp;Ye-Bing Hu,&nbsp;Tie-Shan Cao,&nbsp;Cong-Qian Cheng,&nbsp;Jie Zhao","doi":"10.1007/s12034-024-03333-x","DOIUrl":"10.1007/s12034-024-03333-x","url":null,"abstract":"<div><p>Oxidation behaviour of a third-generation Ni-based single-crystal superalloy was investigated at 900 and 1050°C by scanning electron microscopy, X-ray diffraction and electron probe microanalysis. The alloy showed non-uniform oxidation behaviour in dendritic and interdendritic regions. Re and W were enriched in the dendritic region, leading to the formation of Re<sub>2</sub>O<sub>7</sub> and WO<sub>3</sub>, which were easy to volatile. As a result, the film in the dendritic region was loose and contained number of pores, providing an easy path for the outward diffusion of cations and inward diffusion of O<sup>2−</sup>. Moreover, the high Pilling–Bedworth ratio of Ta<sub>2</sub>O<sub>5</sub> accumulated in the dendrite region, resulting in the occurrence of cracking and cyclic oxidation behaviour. Eventually, the synergistic effect between the loose oxide film and cyclic oxidation leads to more severe oxidation behaviour in dendritic regions of the alloy compared to interdendritic regions.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142453065","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Study of synergistic nanostructures of NiO/ZnO and their composite as high-performance electrodes for supercapacitor 作为超级电容器高性能电极的氧化镍/氧化锌协同纳米结构及其复合材料的研究
IF 1.9 4区 材料科学
Bulletin of Materials Science Pub Date : 2024-10-22 DOI: 10.1007/s12034-024-03308-y
Riya Malik, M P Geethu Lekshmi, Ankur Rana, Megha Rana, R Srivastava, C K Suman
{"title":"Study of synergistic nanostructures of NiO/ZnO and their composite as high-performance electrodes for supercapacitor","authors":"Riya Malik,&nbsp;M P Geethu Lekshmi,&nbsp;Ankur Rana,&nbsp;Megha Rana,&nbsp;R Srivastava,&nbsp;C K Suman","doi":"10.1007/s12034-024-03308-y","DOIUrl":"10.1007/s12034-024-03308-y","url":null,"abstract":"<div><p>Supercapacitors’ high power density and extended life cycle have drawn a lot of interest in energy storage devices. In this study, different nanostructures of nickel oxide (NiO) and zinc oxide (ZnO) were synthesized using the hydrothermal method by treating the corresponding metal precursors in a high-temperature aqueous solution. The XRD and SEM were used to analyse crystal structure and morphology, respectively. The absorption of ZnO and NiO materials is found to be in the visible range of 300–400 and 200–300 nm, respectively. The band gap of ZnO was calculated as 3.04 eV, while that of NiO was 3.93 eV. The supercapacitor electrode was fabricated on nickel foam with developed nanostructure and carbon materials. The composite ZnO and NiO materials showed an increase in capacitance compared to the bare NiO and ZnO electrodes. This enhancement could be related to improved charge transfer kinetics and increased surface area for electrolyte interaction. Galvanostatic charge–discharge, cyclic voltammetry and electrochemical impedance spectroscopy measurements were conducted to assess the electrochemical efficiency of nanomaterials and their composites. At the current density of 2 A g<sup>−1</sup>, the specific capacitance of the NiO/ZnO composite is found to be 351.54 F g<sup>−1</sup>, which is ~2 times of the bare NiO and ~3.34 times of bare ZnO. The maximum energy density of ZnO nanoparticles, NiO nanoflakes and the composite are found to be 3.96, 6.58 and 13.90 Wh kg<sup>-1</sup>, respectively. The charge storage process is the result of diffusion and redox reactions. This paper explores a binary oxide composites method for creating efficient supercapacitor electrode materials.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142453067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of particle size of cubic boron nitride powders on the properties of polycrystalline cubic boron nitride composites 立方氮化硼粉末的粒度对多晶立方氮化硼复合材料性能的影响
IF 1.9 4区 材料科学
Bulletin of Materials Science Pub Date : 2024-10-22 DOI: 10.1007/s12034-024-03326-w
Changjiang Xiao, Haoyu Zheng, Hongjun Tao, Jinming Ma, qunfei Zhang, Lihui Tang
{"title":"Effect of particle size of cubic boron nitride powders on the properties of polycrystalline cubic boron nitride composites","authors":"Changjiang Xiao,&nbsp;Haoyu Zheng,&nbsp;Hongjun Tao,&nbsp;Jinming Ma,&nbsp;qunfei Zhang,&nbsp;Lihui Tang","doi":"10.1007/s12034-024-03326-w","DOIUrl":"10.1007/s12034-024-03326-w","url":null,"abstract":"<div><p>Polycrystalline cubic boron nitride (PcBN) composites were prepared through high-temperature and high-pressure (HTHP) sintering process. Cubic boron nitride (cBN) powders with particle sizes of 0.2, 1, 3, and 8 μm were selected as raw materials, and Al-Co-TiN was employed as a binder. The effect of particle size of initial cBN powders on the microstructure, relative density, flexural strength, microhardness, fracture toughness and abrasive ratio of sintered PcBN composite were systematically studied. The results showed that synthesized products were mostly made of cBN, TiN, AlN, TiB<sub>2</sub> and CoN phases. The mechanical properties of sintered PcBN composites first increased and then decreased with a reduction in the particle size of cBN powders. When the particle size of initial cBN powder was 1 µm, the binder was observed to be evenly distributed around the cBN grains in the sintered product. Moreover, there was a close bonding between cBN grains and the binder in the sintered product when the particle size of initial cBN powders was 1 µm, consequently, the optimal mechanical properties were achieved. The maximum values for relative density, flexural strength, microhardness, fracture toughness and abrasive ratio were 99.1%, 607 MPa, 47.06 GPa, 6.52 MPa·M<sup>1/2</sup> and 7125, respectively.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142453133","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Blend membranes of sulphonated poly(arylene ether sulphone) and sulphonated polybenzimidazole and their characterization for desalination applications 用于海水淡化的磺化聚(芳基醚砜)和磺化聚苯并咪唑共混膜及其特性分析
IF 1.9 4区 材料科学
Bulletin of Materials Science Pub Date : 2024-10-22 DOI: 10.1007/s12034-024-03322-0
Kaarthick Raaja Venkatachalam, Sachin M B Gautham, Anegondi Nateriachyuth, Jegatha Nambi Krishnan
{"title":"Blend membranes of sulphonated poly(arylene ether sulphone) and sulphonated polybenzimidazole and their characterization for desalination applications","authors":"Kaarthick Raaja Venkatachalam,&nbsp;Sachin M B Gautham,&nbsp;Anegondi Nateriachyuth,&nbsp;Jegatha Nambi Krishnan","doi":"10.1007/s12034-024-03322-0","DOIUrl":"10.1007/s12034-024-03322-0","url":null,"abstract":"<div><p>Upon polycondensing, the monosodium salt of 2-sulphoterepthalic acid and 3,3′-diaminobenzidine resulted in sulphonated polybenzimidazole (s-p-PBI; amphiphilic polymer). The amphiphilic polymer was blended with commercially available sulphonated poly(arylene ether sulphone) (SPAES; acid polymer; IEC = 2.08 meq g<sup>−1</sup>). The s-p-PBI content in blend composition is varied from 2.5 to 30% (w/w). ATR-FTIR spectroscopy and TG analysis were examined to identify the interactions between the polymers upon blending. Cross-sectional morphology was analysed through SEM. With amphiphilic polymer addition, chlorine (hypochlorite) stability decreased and tensile strength improved. All the blend membranes showed improved water transport or restricted salt permeability than the pristine membrane (acid polymer). Water diffusivity permeability (<i>P</i><sub>w</sub>) of blend membrane AC-AM-97.5 (i.e., 97.5% (w/w) of SPAES and 2.5% (w/w) of s-p-PBI) is 1.285 cm<sup>2</sup> s<sup>−1</sup>, while the pristine membrane is 0.864 cm<sup>2</sup> s<sup>−1</sup>. NaCl permeability selectivity (<i>P</i><sub>w</sub><i>/P</i><sub>s</sub>) of AC-AM-97.5 is 0.208 × 10<sup>3</sup>, whereas pristine membrane shows 0.102 × 10<sup>3</sup>.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142453066","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Revealing electrochemical performance of Ni doping LiFePO4 composite 揭示掺杂镍的磷酸铁锂复合材料的电化学性能
IF 1.9 4区 材料科学
Bulletin of Materials Science Pub Date : 2024-10-18 DOI: 10.1007/s12034-024-03295-0
Guimin Zhou, Peng Wang, Zengmou Li, Yin Li, Yaochun Yao
{"title":"Revealing electrochemical performance of Ni doping LiFePO4 composite","authors":"Guimin Zhou,&nbsp;Peng Wang,&nbsp;Zengmou Li,&nbsp;Yin Li,&nbsp;Yaochun Yao","doi":"10.1007/s12034-024-03295-0","DOIUrl":"10.1007/s12034-024-03295-0","url":null,"abstract":"<div><p>In this work, Ni<sup>2+</sup> was doped into the crystal lattice of LiFePO<sub>4</sub> to improve the electrochemical performance. Lengths of the Li–O bonds in LiFe<sub>0.98</sub>Ni<sub>0.02</sub>PO<sub>4</sub>/C (2% NiSO<sub>4</sub>-doped LiFePO<sub>4</sub>) is longer than that of the bare LiFePO<sub>4</sub> sample, the micromorphology of LiFe<sub>0.98</sub>Ni<sub>0.02</sub>PO<sub>4</sub>/C sample becomes uniform, and the Ni<sup>2+</sup> doped into LiFePO4 expands the crystal plane spacing, which is conducive to Li<sup>+</sup> diffusion. Amongst all the doped samples, the Li<sup>+</sup> diffusion coefffcient of LiFe<sub>0.98</sub>Ni<sub>0.02</sub>PO<sub>4</sub>/C is the largest, and the redox peak of LiFe<sub>0.98</sub>Ni<sub>0.02</sub>PO<sub>4</sub>/C is more symmetrical, sharper and narrower, indicating that the proper amount of Ni<sup>2+-</sup>modified LiFePO<sub>4</sub> can improve the electrochemical performance. Specific discharge capacity at 1C is 152 mAh g<sup>−1</sup> when the doping amount is 2%. Additionally, after 200 cycles at 2C, the discharge specific capacity can be attained at 140 mAh g<sup>−1</sup> and capacity retention rate reached 98%.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142451124","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exploring the synergistic potential of PVB: KCl composite electrolyte films for enhanced performance in solid-state potassium batteries 探索 PVB:KCl 复合电解质薄膜的协同潜力,以提高固态钾电池的性能
IF 1.9 4区 材料科学
Bulletin of Materials Science Pub Date : 2024-10-14 DOI: 10.1007/s12034-024-03340-y
K Nivetha, K Vijaya Kumar, N Krishna Jyothi, K Venkataratnam Kamma
{"title":"Exploring the synergistic potential of PVB: KCl composite electrolyte films for enhanced performance in solid-state potassium batteries","authors":"K Nivetha,&nbsp;K Vijaya Kumar,&nbsp;N Krishna Jyothi,&nbsp;K Venkataratnam Kamma","doi":"10.1007/s12034-024-03340-y","DOIUrl":"10.1007/s12034-024-03340-y","url":null,"abstract":"<div><p>Polyvinyl butyral (PVB) integrated with varying compositions of potassium chloride (KCl) was prepared through a solution-cast method in methanol, forming a PVB-based electrolyte film for solid-state potassium batteries. The incorporation of KCl into PVB matrix significantly altered the composite electrolyte film’s structural intricacies, bandgap modulation, thermal stability and facilitated functional group identification. Furthermore, the ionic conductivity of the PVB polymer electrolyte exhibited an initial enhancement followed by a subsequent reduction with the escalating ratio of KCl. Specifically, at 80 wt% PVB and 20 wt% KCl, its ionic conductivity reached a value of 1.87 × 10<sup>−5</sup> S cm<sup>−1</sup> at room temperature and 9.61 × 10<sup>−5</sup> S cm<sup>−1</sup> at 303 K temperature. The ion transference number, which denotes the relative ease with which potassium ions migrate within the PVB polymer-complexed electrolyte, was determined to be 0.98. Discharge tests on the cell, under 1.2 µA current and 2.1 V at room temperature, displayed an initial 9.16 µA h<sup>−1</sup> discharge capacity.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142430993","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Doping-induced electronic transport properties in tetracene-based molecular device 四碳烯基分子器件中的掺杂诱导电子传输特性
IF 1.9 4区 材料科学
Bulletin of Materials Science Pub Date : 2024-10-10 DOI: 10.1007/s12034-024-03324-y
Sukhdeep Kaur, Rupendeep Kaur, Deep Kamal Kaur Randhawa, Rahul Sharma, Harmandar Kaur
{"title":"Doping-induced electronic transport properties in tetracene-based molecular device","authors":"Sukhdeep Kaur,&nbsp;Rupendeep Kaur,&nbsp;Deep Kamal Kaur Randhawa,&nbsp;Rahul Sharma,&nbsp;Harmandar Kaur","doi":"10.1007/s12034-024-03324-y","DOIUrl":"10.1007/s12034-024-03324-y","url":null,"abstract":"<div><p>Non-equilibrium Green’s function (NEGF) and density functional theory (DFT) calculations are used to explore the impact of doping on the electron transport properties in a single tetracene molecule linked to gold electrodes using isocyanide anchoring groups. Boron (B) and Nitrogen (N) atoms are used for doping and co-doping (BN) of the carbon atoms placed at the edge of the tetracene molecule. It was found that the chemical doping of tetracene molecules mainly impacts the rectification trends compared to non-doped molecules. Our findings indicate that B doping significantly improves the rectification ratio compared to other dopants because of a greater difference between the current values under positive and negative biases as a result of asymmetric <i>I-V</i> characteristics. These inferences have also been assessed in terms of MPSH and transmission spectra. In addition, novel characteristic of negative differential resistance (NDR) is attained in single dopant molecular junctions.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142411158","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信