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Si-induced insertion of Li into SiC to form Li-rich SiC twin crystal

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Particuology 2023年第3期74卷 56-63页

作者： Di Zhang Chenxi Zhang Feng Lu Hairong Jiang Fei Wei Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology Department of Chemical EngineeringTsinghua UniversityBeijing100084China

The energy denSity of Li-ion batteries is closely related to the capacity and average voltage of cathode materials.Unfortunately,current cathode materials either have low capacity or voltage,which limits the development of high-energy-denSity Li-ion batteries.This has given challenge to many attempts to develop new cathode materials with high capacity and voltage.In this study,we find that Li eaSily inserts into the(111)plane of SiC in the presence of Si,and a well-organized Li-rich SiC twin crystal is formed.Ultraviolet-viSible diffuse reflectance spectra and electrochemical test results suggest that this Li-rich SiC twin crystal possesses the band gap energy of 3.5 eV and charging capacity of 1979 mAh/g at the current denSity of 200 mA/g,making it a promiSing candidate for the cathode material in high-capacity Li-ion batteries.X-ray photoelectron spectroscopy and high-resolution transmisSion electron microscopy results reveal that Si-induced Li insertion contributes to the changes in the surface species and structure of pristine SiC.These findings suggest that the Li-rich SiC twin crystal raises new posSibilities for the development of high-capacity cathode materials and merits further investigation to expand its application scope.

关键词： Si Li insertion SiC Li-rich twin crystal CathodeLi-ion batteries

Constructing the bonding between conductive agents and active materials/binders stabilizes Silicon anode in Lithium-ion batteries

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Journal of Energy Chemistry 2023年第5期80卷 23-31,I0002页

作者： Jie Tang Jiawang Zhou Xingyu Duan Yujie Yang Xinyi Dai Fuzhong Wu Guizhou High-level Institution Key Laboratory of High-Performance Battery Materials Guizhou UniversityGuiyang 550025GuizhouChina

Silicon(Si)anode has been conSidered a promiSing candidate due to its remarkable theoretical capacity but it was plagued by severe pulverization because of the inherent huge volume variation.Enhancing electrode stability is an effective approach to improve electrochemical performance.Herein,a stable Si anode was established by an innovative construction of the bonding between conductive agents and active materials/binders.As a result,the strong interaction of electrode components not only effectively alleviates the volume expanSion of Si but also achieves a stable interface by generating the beneficial solid electrolyte interphase(SEI)compoSition.Attributed to the deliberate scheme of the electrode,the Si anode exhibits sterling electrochemical performance.BeSides,the device of the electrode is not only effective for other binders but also for other anode materials with high volume variation,thus shedding light on the rational deSign of electrodes for high-energy-denSity lithium-ion batteries.

关键词： Lithium-ion batteries Si MXene SEI Structural stability

Improving open-circuit voltage and short-circuit current of high-efficiency Silicon-based planar heterojunction solar cells by combining V_(2)O_(5)with PEDOT:PSS

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Journal of Materiomics 2023年第3期9卷 438-446页

作者： Zhiting Luo Chen Yang Xiuhua Chen Wenhui Ma Shaoyuan Li Kaixin Fu School of Materials and Energy Yunnan UniversityYunnan650500China Yunnan Silicon Materials Engineering Technology Research Center Kunming University of Science and Technology650093China National Joint International Research Center for Optoelectronic Energy Materials Yunnan UniversityYunnan650500China

In recent years,a novel PEDOT:PSS/n-Si planar heterojunction solar cell has been extenSively studied in the photovoltaic field.Different V_(2)O_(5)-IPA concentrations mixed in PEDOT:PSS samples as hole transport layer were prepared by means of spin coating technique and mechanical mixing of organic and inorganic materials.V_(2)O_(5)was studied for its effects on the surface morphology,chemical compoSition,and optical transmittance of PEDOT:PSS films.The findings of the study show that the addition of V_(2)O_(5)particles changes the surface morphology of PEDOT:PSS films and promotes its superior ohmic contact with the Si interface.Furthermore,PEDOT:PSS incorporated with V_(2)O_(5)particles that have outstanding optical and semiconductor properties reduces the rate of carrier recombination at the device interface and blocks electron transport to the anode in the fabricated Si-based solar cells.When compared to conventional PEDOT:PSS/Si planar heterojunction solar cells,the fill factor,photoelectric converSion efficiency,open-circuit voltage,and short-circuit current denSity of the devices prepared in this study can be Significantly improved,reaching up to 70.98%,15.17%,652 mV and 32.8 mA/cm^(2),respectively.This research provides a promiSing and effective method for improving the photoelectric converSion performance of PEDOT:PSS/Si heterojunction solar cells,which enables the application of V_(2)O_(5)in Si solar cells.

关键词： Si PEDOT:PSS Heterojunction photovoltaic devices V_(2)O_(5)-IPA High conductivity Semiconductor film

Exciton polaritons based on planar dielectric Si asymmetric nanogratings coupled with J-aggregated dyes film

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Frontiers of Optoelectronics 2020年第1期13卷 4-11页

作者： Zhen CHAI Xiaoyong HU Qihuang GONG State Key Laboratory for Mesoscopic PhySics&Department of PhySics Collaborative Innovation Center of Quantum MatterBeijing Academy of Quantum Information SciencesNano-optoelectronics Frontier Center of Ministry of EducationPeking UniversityBeijing 100871China Collaborative Innovation Center of Extreme Optics Shanxi UniversityTaiyuan 030006China

Optical cavity polaritons,originated from strong coupling between the excitons in materials and photons in the confined cavities field,have recently emerged as their applications in the high-speed lowpower polaritons devices,low-threshold laSing and so on.However,the traditional exciton polaritons based on metal plasmonic structures or Fabry-Perot cavities suffer from the disadvantages of large intrinSic losses or hard to integrate and nanofabricate.This greatly limits the applications of exciton poalritons.Thus,here we implement a compact low-loss dielectric photonic–organic nanostructure by placing a 2-nm-thick PVA doped with TDBC film on top of a planar Si asymmetric nanogratings to reveal the exciton polaritons modes.We find a distinct anti-crosSing disperSion behavior appears with a 117.16 meV Rabi splitting when varying the period of Si nanogratings.Polaritons disperSion and mode anti-crosSing behaviors are also observed when conSidering the independence of the height of Si,width of Si nanowire B,and distance between the two Si nanowires in one period.This work offers an opportunity to realize low-loss novel polaritons applications.

关键词： exciton polaritons dielectric Si asymmetric nanogratings TDBC J-aggregated dyes film

Si衬底Cu_(2)ZnSnS_(4)太阳能电池的数值分析

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物理学报 2021年第10期70卷 340-348页

作者：刘辉城许佳雄林俊辉广东工业大学材料与能源学院广州510006

在Si衬底上制备的Cu_(2)ZnSnS_(4)(CZTS)太阳能电池具有CZTS与Si衬底的晶格失配低的优点,但目前其转换效率仍较低.本文采用异质结太阳能电池仿真软件Afors-het对Si衬底CZTS太阳能电池进行数值计算.对现有的p-CZTS/n-Si太阳能电池的计算... 详细信息

在Si衬底上制备的Cu_(2)ZnSnS_(4)(CZTS)太阳能电池具有CZTS与Si衬底的晶格失配低的优点,但目前其转换效率仍较低.本文采用异质结太阳能电池仿真软件Afors-het对Si衬底CZTS太阳能电池进行数值计算.对现有的p-CZTS/n-Si太阳能电池的计算结果表明,在该电池结构中p-CZTS和n-Si分别起窗口层和吸收层的作用,但p-CZTS具有高光吸收系数,使大部分入射光无法透过p-CZTS层进而被n-Si吸收,限制了电池的转换效率.本文提出以p-Si作为衬底的n-ZnO:Al/i-ZnO/n-CdS/p-CZTS/p-Si太阳能电池结构.计算得到的p-CZTS/p-Si结构的暗态电流密度-电压(J–V)特性曲线均为线性曲线,表明p-CZTS与p-Si为欧姆接触以及p-Si作为p-CZTS的背电极的可行性.进一步计算了p-Si的厚度与掺杂浓度、p-CZTS的厚度与掺杂浓度对n-ZnO:Al/i-ZnO/n-CdS/p-CZTS/p-Si太阳能电池光伏特性的影响,在不考虑寄生串并联电阻效应和缺陷态的理想情况下,电池的最高转换效率为28.41%.本文计算结果表明,n-ZnO:Al/i-ZnO/n-CdS/p-CZTS/p-Si太阳能电池可解决现有p-CZTS/n-Si结构存在的问题,是一种合适的Si衬底CZTS太阳能电池结构.

关键词： Cu_(2)ZnSnS_(4) Si 背电极光伏特性

Er和Si对铝基储热合金导热系数及相变潜热的影响

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金属学报 2020年第11期56卷 1485-1494页

作者：朱伟强俞牧知唐旭陈孝阳许征兵曾建民广西大学广西有色金属及特色材料加工重点实验室南宁530004 广西大学广西生态型铝产业协同创新中心南宁530004

为探究Er、Si对铝基储热合金导热系数和相变储热值的影响,制备了Si的质量分数分别为12%、14%、16%,上述Si含量条件下,Er的质量分数分别为0.2%、0.4%、0.6%、0.8%的合金。根据实验测得的比热容、热扩散系数和密度,通过计算得到合金的导... 详细信息

为探究Er、Si对铝基储热合金导热系数和相变储热值的影响,制备了Si的质量分数分别为12%、14%、16%,上述Si含量条件下,Er的质量分数分别为0.2%、0.4%、0.6%、0.8%的合金。根据实验测得的比热容、热扩散系数和密度,通过计算得到合金的导热系数,同时测量了合金的相变潜热,运用理论模型对合金的相变潜热进行计算,通过方差分析Er和Si含量对合金相变潜热的影响。分析结果表明,Er可以有效改善Al-Si合金中的初生Si形态,细化组织;Si含量为16%时,加入0.2%、0.6%Er的合金相变潜热分别为414.8和406.5 J/g。理论模型计算表明,考虑组元固-液相之间的比热容差对熵的贡献时,得到的合金相变潜热较未考虑的计算结果误差更小;对Al-12Si-x Er、Al-16Si-x Er相变潜热理论计算模型进行了修正,修正模型计算得到的合金相变潜热值和实测潜热值更为吻合。方差分析显示,在显著性水平p=0.05的条件下,Si含量对材料相变潜热有显著影响。

关键词： Er Si 铝基储热合金导热系数相变潜热

Si对一种9Cr铁素体/马氏体钢显微组织和力学性能的影响

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金属学报 2023年

作者：张乾坤胡小锋姜海昌戎利建中国科学技术大学材料科学与工程学院中国科学院金属研究所中国科学院核用材料与安全评价重点实验室

基于ASME标准成分的P91钢,设计了一种Si增强型的9Cr铁素体/马氏体钢(记为H-Si钢)。利用OM、FESEM、TEM、EBSD、拉伸和冲击等分析和检测技术,对P91和H-Si合金钢铸态、均质化态、回火态和时效态(550℃时效3000 h)的显微组织和力学性能进... 详细信息

基于ASME标准成分的P91钢,设计了一种Si增强型的9Cr铁素体/马氏体钢(记为H-Si钢)。利用OM、FESEM、TEM、EBSD、拉伸和冲击等分析和检测技术,对P91和H-Si合金钢铸态、均质化态、回火态和时效态(550℃时效3000 h)的显微组织和力学性能进行了研究。结果表明,Si增强后会在合金钢中引入体积分数为3.9%的δ铁素体,但通过均质化处理可以将其完全消除。回火处理后,H-Si钢因含有较高的Si含量,会形成富Si层包裹M23C6的现象,该富Si层阻碍了M23C6的粗化长大,使M23C6的尺寸小于P91钢中M23C6的尺寸。与此同时,在550℃时效处理时该富Si层同样会减缓M23C6的长大,同时还促进了Laves相的形核和生长,造成时效态H-Si钢具有较细的M23C6和较粗的Laves相。回火态H-Si钢因较高的Si含量和较细的M23C6,强度明显高于P91钢,而时效处理后因Laves相的析出,强度进一步提高。回火态P91和H-Si合金钢具有相近的冲击功(约210 J),断裂模式均为韧性断裂。时效处理后由于Laves相的析出,导致P91和H-Si合金钢的冲击功下降。因H-Si钢中Laves相的尺寸较大、数量较多,使H-Si钢出现了一定比例的解理区,从而冲击功下降更明显。

关键词： Si M C Laves相 δ铁素体力学性能

SyntheSis and Spectroscopic Investigations of Four New Y(Ⅲ), Ge(Ⅳ), W(Ⅵ) and Si(Ⅳ) Penicillin Antibiotic Drug Complexes

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光谱学与光谱分析 2019年第9期39卷 2982-2988页

作者： Abeer A.El-Habeeb Moamen S.Refat College of Science Princess Nourah Bint Abdulrahman University Department of Chemistry Riyadh 11671 Saudi Arabia Chemistry Department Faculty of Science Taif University P.O. Box 888 Al-Hawiah Taif 21974 Saudi Arabia Department of Chemistry Faculty of Science Port Said Port Said University Egypt

A four new penicillinate complexes were prepared through the chemical interactio ns of penicillin potasSium salt (Pin) with YCl 3, GeCl 4, WCl 6 and SiCl 4 m etal ions. These metal complexes were characterized uSing spectroscopic techniqu es (e.g. 1H-NMR, infrared, electronic UV-Vis) as well as elemental, cond uctivity, and magnetic measurements. The molar conductance values were highly, s howing their electrolytic nature. The magnetic and electronic study strongly rec ommends the octahedral geometry of all penicillinate complexes. A monomeric stru ctures of Pin complexes are proposed with octahedral coordinated metals ions. Th e metal ions are coordinated toward Pin as tridentate ligand through the amide a nd β-lactam carbonyls and a carboxylate group from penicillin. The in vitro antimicrobial activity of all the complexes, at concentrations in μg·mL^-1 , was screened against four bacterial pathogens, namely, Bacillus subtilis , Escherichia coli, Pseudomonas aeruginosa , and Staphylococcus aureus , and two kinds of fungi Aspergillus flavus and Candida albicans showed better activi ty compared to parent drug and control drug. The anti-cancer inhibition of the tungsten(Ⅵ) complex was assessed against the human hepato cellular carcinoma (H epG-2) tumor cell line with IC50 value is 646 μg·mL^-1 .

关键词： Penicillin Yttrium Germanium Tungsten Si licon FTIR Complexation Biological

高硬导电Cu-Ni-Si系铜合金强化相成分设计

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物理学报 2019年第19期68卷 195-208页

作者：李冬梅韩敬宇董闯大连理工大学材料科学与工程学院三束材料改性教育部重点实验室大连116024 内蒙古民族大学机械工程学院通辽028000

Cu-Ni-Si系铜合金有良好的导电、导热和机械性能,被广泛用于电子元器件等领域.设计Cu-Ni-Si系铜合金成分时,析出相成分的确定是关键.本文利用团簇加连接原子模型方法按"析出相"设计Cu-Ni-Si系铜合金的成分.依据团簇选取准则,选定d-Ni2Si... 详细信息

Cu-Ni-Si系铜合金有良好的导电、导热和机械性能,被广泛用于电子元器件等领域.设计Cu-Ni-Si系铜合金成分时,析出相成分的确定是关键.本文利用团簇加连接原子模型方法按"析出相"设计Cu-Ni-Si系铜合金的成分.依据团簇选取准则,选定d-Ni2Si,γ-Ni5Si2和β-Ni3Si相团簇式分别为[Ni-Ni8Si5]Ni,[Si-Ni10]Si3和[Si-Ni12]Si3;在基体Cu含量原子分数为93.75%,95%,95.83%,96.7%和97.5%的每一成分点处,分别按析出相δ-Ni2Si,γ-Ni5Si2和β-Ni3Si设计了系列Cu-Ni-Si合金的成分.合金原料在充满氩气的真空电弧炉中熔炼成合金锭,经950°C/1 h固溶水淬和450°C/4 h时效水淬处理.当合金的导电性成为成分设计的主因时,基体Cu含量分别在90%-95.63%和95.63%-97.5%成分区间时,析出相分别按d-Ni2Si和γ-Ni5Si2设计;基体Cu含量大于97.5%,按d-Ni2Si,γ-Ni5Si2或β-Ni3Si中任一相设计均可,导电性基本没有差别.如果合金的强度是成分设计的主因,基体Cu含量分别在90%-93.93%,93.93%-94.34%,94.34%-95.63%和95.63%-96.12%成分区间时,析出相对应于上述成分区间分别按d-Ni2Si,γ-Ni5Si2,β-Ni3Si和γ-Ni5Si2设计;基体Cu含量一旦大于96.12%,析出相按d-Ni2Si,γ-Ni5Si2或β-Ni3Si中任一相设计均可.

关键词： Cu-Ni- Si 合金团簇加连接原子相成分设计高硬度导电性