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Influence of structural and morphological variables on the optical and electrical response of Na-doped BFOs 结构和形态变量对 Na 掺杂 BFOs 的光学和电学响应的影响
Q1 Materials Science Pub Date : 2024-01-01 Epub Date: 2024-05-23 DOI: 10.1016/j.mset.2024.05.001
Adán de Jesús Bautista-Morantes, Carlos Ordulio Calderón-Carvajal, Jairo Alberto Gómez-Cuaspud, Enrique Vera-López

In this study, the influence of p-type doping with Na atoms on the optical bandgap and electrical conductivity of a series of bismuth ferrites (BiFeO3) synthesized by a low-cost solid-state method was evaluated. To identify the properties that influenced the bandgap and electrical response of the samples, the phase of interest was identified and quantified by X-ray diffraction (XRD), the morphological characteristics were determined by scanning electron microscopy (SEM). Structural properties were elucidated by spectroscopic techniques and finally the optical response (indirect bandgap) was measured by ultraviolet–visible spectroscopy (UV–Vis) and electrical response (conductivity) by solid-state electrochemical impedance spectroscopy (SS-IES). The results of this work demonstrated that the optical and electrical response of the series of Na-doped BiFeO3 samples is dependent on at least eight structural and morphological variables (sodium ratio, purity, unit cell volume, oxygen vacancy concentration, crystalline domain size, structural microdeformations, particle size and Warburg-type resistive phenomena). Among the most relevant results, the influence of purity, intrinsic and physical defects was identified, observing a decrease of the electrical resistance and energy gap with the presence of Na.

本研究评估了通过低成本固态方法合成的一系列铁氧体铋(BiFeO3)的p型掺杂Na原子对其光学带隙和电导率的影响。为了确定影响样品带隙和电响应的特性,通过 X 射线衍射 (XRD) 确定了相关相并对其进行了定量,还通过扫描电子显微镜 (SEM) 确定了其形态特征。最后,利用紫外可见光谱(UV-Vis)测量了光学响应(间接带隙),利用固态电化学阻抗光谱(SS-IES)测量了电响应(电导率)。研究结果表明,一系列掺钠 BiFeO3 样品的光学和电学响应至少取决于八个结构和形态变量(钠比、纯度、单位晶胞体积、氧空位浓度、晶域尺寸、结构微变形、粒度和沃伯格型电阻现象)。在最相关的结果中,确定了纯度、内在缺陷和物理缺陷的影响,观察到钠的存在会降低电阻和能隙。
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引用次数: 0
Effect of Ti3AlC2 MAX phase on electrochemical performance of thermo-responsive copolymer electrolyte for solid state zinc-ion battery Ti3AlC2 MAX 相对固态锌离子电池热响应共聚物电解质电化学性能的影响
Q1 Materials Science Pub Date : 2024-01-01 Epub Date: 2023-12-14 DOI: 10.1016/j.mset.2023.12.002
Isala Dueramae , Manunya Okhawilai , Pornnapa Kasemsiri , Hiroshi Uyama , Rio Kita

The solid-state zinc-ion battery (ZIB) is environmentally friendly, cost effective, and extremely safe, which are essential features for alternative sustainable energy storage systems. Herein, a polymer composite electrolyte (PCE) is successfully developed through a facile solution-casting approach from a thermo-responsive copolymer-based electrolyte and layered ternary carbide (Ti3AlC2). The thermo-responsive copolymer demonstrated synergistic mechanical properties through the addition of an appropriate plasticizer and a zinc salt. This combination suggests that the material possesses thermal self-protection capabilities due to its anti-Arrhenius ionic-conducting behavior. However, parasitic reactions and dendrite formation hindered the achievement of its full potential. The incorporation of Ti3AlC2 or MAX phase can mitigate the above obstacles, enhancing electrochemical performance with excellent flexibility and maintainable self-extinguishing. The solid-state ZIB benefits from the well-designed PCE with the expanding layer interspacing, delivering a remarkably high capacity (336 mAh g−1 at 0.1 A g−1) and energy density of 242 Wh kg−1. This is achieved due to the Ti3AlC2′s ability to immobilize or entrap triflate anions via electrostatic forces. Therefore, the designed PCE is a promising step toward the development of flexible solid electrolytes in ZIBs.

固态锌离子电池(ZIB)环保、经济、安全,是替代性可持续能源存储系统的基本特征。在本文中,通过一种基于热响应共聚物的电解质和层状三元碳化物(Ti3AlC2)的简便溶液浇铸方法,成功开发出了一种聚合物复合电解质(PCE)。通过添加适当的增塑剂和锌盐,热响应共聚物表现出了协同机械性能。这种组合表明,由于其反阿伦尼斯离子导电行为,该材料具有热自我保护能力。然而,寄生反应和枝晶的形成阻碍了其潜力的充分发挥。加入 Ti3AlC2 或 MAX 相可以缓解上述障碍,提高电化学性能,并具有出色的灵活性和可维持的自熄性。固态 ZIB 得益于精心设计的 PCE 和不断扩大的层间距,可提供极高的容量(0.1 A g-1 时为 336 mAh g-1)和 242 Wh kg-1 的能量密度。这归功于 Ti3AlC2 通过静电力固定或捕获三氟甲基阴离子的能力。因此,所设计的 PCE 是朝着开发 ZIB 中柔性固体电解质迈出的充满希望的一步。
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引用次数: 0
Investigation on copper cobaltite (CuCo2O4) and its composite with activated carbon (AC) for supercapacitor applications 超级电容器用钴酸铜(CuCo2O4)及其与活性炭(AC)复合材料的研究
Q1 Materials Science Pub Date : 2024-01-01 Epub Date: 2023-07-22 DOI: 10.1016/j.mset.2023.07.006
J. Bosco Franklin , S. Sachin , S. John Sundaram , G. Theophil Anand , A. Dhayal Raj , K. Kaviyarasu

Energy storing devices plays a major role in the development of technology. We synthesized carbon-based nanocomposites through a physical method and CuCo2O4 nanocomposites through a sol–gel technique calcined at 600 °C. From X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) confirmed the formation of CuCo2O4 nanocomposites which also shows some impurity phase of CuO nanoparticle. The average crystalline size found to be 45 nm. According to optical absorption analysis, the particles show maximum absorption in 256 nm and 369 nm in the UV region, while copper cobaltite doped with activated carbon (AC) shows broad absorption compared with copper cobaltite alone. Morphology studies shows agglomerate image in AC composites and hexagonal structures was formed in CuCo2O4 nanoparticles with average particle size of 100 nm. Atomic and weight percentages were recorded using energy dispersive X-ray analysis (EDAX). A good specific capacitance can be found from CV analysis, using electrochemical impedance spectroscopy (EIS), nanoparticles are shown to have different interface properties at the surface of electrodes. Using CuCo2O4 and its composite as positive and negative electrodes in cyclic voltammetry (CV) studies shows excellent electrochemical properties. In addition, CuCo2O4 with activated carbon is promising as a low-cost and good supercapacitor material.

储能装置在技术发展中起着重要的作用。我们通过物理方法合成了碳基纳米复合材料,通过溶胶-凝胶技术在600℃下煅烧合成了CuCo2O4纳米复合材料。x射线衍射(XRD)和傅里叶变换红外光谱(FTIR)证实了CuCo2O4纳米复合材料的形成,同时也显示出CuO纳米颗粒的杂质相。平均晶体尺寸为45纳米。光学吸收分析表明,粒子在256 nm和369 nm的紫外区有最大的吸收,而活性炭掺杂的钴酸铜比单独掺杂的钴酸铜有更宽的吸收。形貌研究表明,CuCo2O4纳米颗粒在AC复合材料中形成团块图像,平均粒径为100 nm,形成六边形结构。用能量色散x射线分析(EDAX)记录原子百分比和质量百分比。电化学阻抗谱(EIS)分析表明,纳米颗粒在电极表面具有不同的界面性质,具有良好的比电容。在循环伏安法(CV)研究中,CuCo2O4及其复合材料作为正负极具有优异的电化学性能。此外,CuCo2O4与活性炭结合是一种低成本、优良的超级电容器材料。
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引用次数: 1
Nano indentation studies on ceramic thinfilms coatings deposited using sputtering process for energy applications 用于能源应用的溅射沉积陶瓷薄膜涂层的纳米压痕研究
Q1 Materials Science Pub Date : 2024-01-01 Epub Date: 2023-08-20 DOI: 10.1016/j.mset.2023.08.001
Vijaya G. , Muralidhar Singh M. , Manish Kumar , Amit Kumar , Ashok Kumar M.S. , Dheeraj Kumar , Shatrudhan Pandey , S.M. Mozammil Hasnain , Abhishek Kumar Singh , Gaurav Kumar

Nanoindentation technique is generally used for measuring thinfilm mechanical properties such as hardness, modulus and stiffness. Nanoindentation of ceramic thinfilms of SiO2, Si3N4 and Al2O3 was deposited by radio-frequency (RF) magnetron sputtering on the stainless steel (SS304) substrates using a nanoindenter. Under varied sputtering conditions, the “as-deposited” film was amorphous. The as-deposited thin film had a thickness of 200 nm. The amorphous film was loaded/unloaded only once while operating in load control mode. Hardness and Young's modulus, two mechanical properties of the ceramic thinfilms, were also measured. When SiO2, Si3N4, and Al2O3 thinfilms are deposited onto stainless steel substrates using an RF magnetron sputtering, the roughness of the ceramic thinfilms is in the range of 8 to 12 nm. The nanoindentation results were compared, the hardness of the coatings is in the range of 6 to 9 GPa, and these ceramic coatings can be used as an adhesive layer for multilayer thin film coating.

纳米压痕技术通常用于测量薄膜的机械性能,如硬度、模量和刚度。使用纳米压头通过射频(RF)磁控溅射在不锈钢(SS304)衬底上沉积SiO2、Si3N4和Al2O3陶瓷薄膜的纳米压痕。在不同的溅射条件下,“沉积态”薄膜是非晶态的。所沉积的薄膜具有200nm的厚度。在负载控制模式下操作时,非晶膜仅被加载/卸载一次。测定了陶瓷薄膜的硬度和杨氏模量两项力学性能。当使用RF磁控溅射将SiO2、Si3N4和Al2O3薄膜沉积到不锈钢衬底上时,陶瓷薄膜的粗糙度在8-12nm的范围内。对纳米压痕结果进行了比较,涂层的硬度在6至9GPa的范围内,这些陶瓷涂层可以用作多层薄膜涂层的粘合层。
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引用次数: 0
Design and fabrication of photovoltaics based on MFS (Ag/BaTiO3/silicon p-type) structure 基于MFS(Ag/BaTiO3/硅p型)结构的光伏器件的设计与制造
Q1 Materials Science Pub Date : 2024-01-01 Epub Date: 2023-07-07 DOI: 10.1016/j.mset.2023.06.002
Irzaman , M. Dahrul , M. Rahmani , A.M. Rukyati , Samsidar , Nurhidayah , F. Deswardani , M. Peslinof , R.P. Jenie , J. Iskandar , Y. Wahyuni , K. Priandana , R. Siskandar

The experiment was carried out by growing BaTiO3 (Undoped or Li-doped) on p-type Si(1 0 0) substrates using the Chemical Solution Deposition (CSD) method and spin coating at a rotational speed of 3000 rpm for 60 s, followed by heating at 850 °C. The characterization results show that the bandgap energy value of the thin film due to lithium doping reduces the bandgap energy value. This is presumably because the donor atom added to a semiconductor causes the allowable energy level to be slightly below the conduction band. The presence of this new band causes the thin film bandgap energy to decrease with a five-valent tantalum dip. The morphological properties showed that the BaTiO3/Si(1 0 0) thin film particles in the deposited lithium had a fairly homogeneous grain. With the addition of lithium acetate as a binder into barium titanate, the grain size is getting smaller because it is suspected that the lithium-ion radius is smaller than the barium-ion radius. Measurement of I-V on the thin film shows that the output voltage value increases with more light intensity hitting the surface of the thin film. The greater the light intensity, the greater the energy of the photons, so the electrons are easier to jump. The three things above (both electrical and morphological properties) conclude that the thin films grown have the potential for photovoltaics.

实验采用化学溶液沉积(CSD)方法在p型Si(1 00)衬底上生长BaTiO3(未掺杂或掺锂),并以3000 rpm转速旋转60 s,然后在850℃下加热。表征结果表明,锂掺杂使薄膜的带隙能量值降低。这大概是因为添加到半导体中的供体原子使允许的能级略低于传导带。这种新能带的存在导致薄膜带隙能量随着五价钽的下降而降低。形貌表征表明,沉积锂中的BaTiO3/Si(1 0 0)薄膜颗粒具有较均匀的晶粒。在钛酸钡中加入醋酸锂作为粘结剂后,由于怀疑锂离子半径小于钡离子半径,钛酸钡晶粒尺寸越来越小。薄膜上的I-V测量表明,随着照射到薄膜表面的光强增加,输出电压值也随之增加。光强越大,光子的能量就越大,所以电子更容易跳跃。以上三点(电学和形态学性质)表明,生长的薄膜具有光伏发电的潜力。
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引用次数: 0
Simulation of metal ceramic single layer coatings for solar energy applications 太阳能应用中金属陶瓷单层涂层的模拟
Q1 Materials Science Pub Date : 2024-01-01 Epub Date: 2023-06-28 DOI: 10.1016/j.mset.2023.06.003
Muralidhar Singh M , Manish Kumar , P. Sivaiah , Vijaya G. , Amit Kumar , Dheeraj Kumar , Shatrudhan Pandey , Abhishek Kumar Singh , Ahmed Farouk Deifalla , S.M. Mozammil Hasnain

The coating materials, thickness and number of layers directly influence the reflectance and absorptance properties of the thin films. However, while selecting the materials for single and coatings, the substrate’s refractive index; bond layer, functional layer and protective layer have to be carefully chosen to obtain the desired reflectance and absorptance values. Hence, modelling and simulating the thin film coatings is essential before conducting the experiments to get meaningful results. The simulation results of single coatings have been discussed. Generally, glass is one of the widely used substrate materials for solar reflectors, aluminum is the optimal functional material, with a reflection of 93 % of light. Nickel would be a preferable functional layer with a reflection of 64 % and absorptance of 36 %, Si3N4 being the acceptable bond layers and protective layers with a reflection of 68 % some solar thermal receiver tube applications however research effort is being made to find alternate lightweight materials for this application. Polycarbonate has been chosen as an alternate material for the substrate because it is light in weight with a reflection of 93 %, which is durable and not fragile.

涂层材料、厚度和层数直接影响薄膜的反射和吸收性能。然而,在选择单一和涂层材料时,衬底的折射率;必须仔细选择键合层、功能层和保护层,以获得所需的反射率和吸收率值。因此,在进行有意义的实验之前,对薄膜涂层进行建模和模拟是必不可少的。讨论了单涂层的模拟结果。一般来说,玻璃是太阳能反射器广泛使用的基板材料之一,铝是最佳的功能材料,其反射光率为93%。镍是一种较好的功能层,反射率为64%,吸收率为36%,氮化硅是可接受的键合层和保护层,反射率为68%,一些太阳能热接收管应用,但研究工作正在努力寻找替代轻质材料。聚碳酸酯被选为基材的替代材料,因为它重量轻,反射率为93%,耐用且不易碎。
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引用次数: 2
Highly efficient and stable Ra2LaNbO6 double perovskite for energy conversion device applications 高效稳定的Ra2LaNbO6双钙钛矿,用于能量转换装置
Q1 Materials Science Pub Date : 2024-01-01 Epub Date: 2023-07-17 DOI: 10.1016/j.mset.2023.07.005
Jitendra Kumar Bairwa , Peeyush Kumar Kamlesh , Upasana Rani , Rashmi Singh , Rajeev Gupta , Sarita Kumari , Tanuj Kumar , Ajay Singh Verma

Using first-principles calculations, in this piece of work, authors have investigated the physical properties of Ra2LaNbO6 double perovskite by employing the linearized augmented plane wave (LAPW) method. Structural and electronic properties are determined by using LDA, GGA (WC and PBE), LDA + mBJ, and GGA + mBJ potentials. We have found that Ra2LaNbO6 is an indirect band gap (Eg = 2.4 eV) semiconductor. Its elastic and thermodynamic parameters demonstrate its stability. Its optical study indicates that this material opens the door to its applications in optical devices such as photodetectors, solar cells, superlenses, optical fibers, filters, electromagnetic shielding devices, photovoltaic devices, etc. This material is very good for its practical implementation in thermoelectric devices as both p- and n-type material and extends the interest of experimentalists for further investigations. Thus, Ra2LaNbO6 is found thermodynamically stable and identified as a potential candidate for photovoltaic and thermoelectric devices.

本文采用第一性原理计算,采用线性化增广平面波(LAPW)方法研究了Ra2LaNbO6双钙钛矿的物理性质。通过LDA、GGA (WC和PBE)、LDA + mBJ和GGA + mBJ电位测定结构和电子性能。我们发现Ra2LaNbO6是一种间接带隙(Eg = 2.4 eV)半导体。它的弹性和热力学参数证明了它的稳定性。其光学研究表明,该材料为其在光电探测器、太阳能电池、超透镜、光纤、滤光片、电磁屏蔽器件、光伏器件等光学器件中的应用打开了大门。这种材料在热电器件中作为p型和n型材料的实际应用是非常好的,并且扩展了实验工作者进一步研究的兴趣。因此,发现Ra2LaNbO6热力学稳定,并确定为光伏和热电器件的潜在候选者。
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引用次数: 3
Exploring heterogenous TiO2 nanocrystals from natural ilmenite mineral extraction for energy application 探索从天然钛铁矿中提取的多相TiO2纳米晶用于能源应用
Q1 Materials Science Pub Date : 2024-01-01 Epub Date: 2023-11-10 DOI: 10.1016/j.mset.2023.11.001
Ahmad Fauzi , Latifa Hanum Lalasari , Nofrijon Sofyan , Donanta Dhaneswara , Florentinus Firdiyono , Iwan Setiawan , Eko Sulistiyono , Agus Budi Prasetyo , Akhmad Herman Yuwono

The semiconductor oxide material titanium dioxide (TiO2) has a number of strategic uses, such as an antimicrobial, self-cleaning, photocatalyst, and dye-sensitized solar cell (DSSC). Despite the fact that his substance is naturally obtained from the ilmenite (FeTiO3) mineral, there have been few investigations in this field. This work produced heterogenous TiO2 nanocrystals from ilmenite extraction, which were then subjected to post-hydrothermal treatment at a range of temperatures of 80, 100, 120, and 150 °C. In the present study, it was examined how temperature change affected the optical characteristics, crystal structure, and prospective integration of TiO2 nanocrystals into DSSC. The obtained TiO2 nanocrystals were identified as anatase phase by the X-ray diffraction analysis. As a result of raising the post-hydrothermal temperature from 80 to 150 °C, the crystallite size of heterogenous TiO2 nanocrystals was successfully enhanced from 58.09 to 72.48 nm. The band gap energy (Eg) may be lowered from 2.81 to 2.65 eV by increasing the size of the crystallites. The greatest open circuit voltage (Voc) measured by the voltage test findings was 16.80 mV. According to the study's findings, heterogenous TiO2 nanocrystals synthesized from the ilmenite mineral might be used in dye-sensitized solar cell applications.

半导体氧化物二氧化钛(TiO2)具有许多战略用途,如抗菌、自清洁、光催化剂和染料敏化太阳能电池(DSSC)。尽管他的物质是从钛铁矿(FeTiO3)矿物中自然获得的,但在这一领域的研究很少。这项工作从钛铁矿中提取出异质TiO2纳米晶体,然后在80、100、120和150°C的温度范围内进行水热处理。在本研究中,研究了温度变化如何影响TiO2纳米晶体的光学特性、晶体结构以及在DSSC中整合的前景。通过x射线衍射分析,所得TiO2纳米晶为锐钛矿相。通过将热液后温度从80℃提高到150℃,异相TiO2纳米晶的晶粒尺寸由58.09 nm提高到72.48 nm。增大晶体尺寸可使带隙能从2.81 eV降低到2.65 eV。电压测试结果测得的最大开路电压(Voc)为16.80 mV。根据这项研究的发现,由钛铁矿矿物合成的异质TiO2纳米晶体可能用于染料敏化太阳能电池。
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引用次数: 0
The promising frontier for next-generation energy storage and clean energy production: A review on synthesis and applications of MXenes 下一代储能和清洁能源生产的前沿:MXenes的合成与应用综述
Q1 Materials Science Pub Date : 2023-10-23 DOI: 10.1016/j.mset.2023.10.002
Iqra Mubeen, Saleem Shah, Erum Pervaiz, Waheed Miran

Currently the world is facing significant challenges of meeting the rising demands of production of green energy. Clean energy technology development has received a lot of attention because of increasing energy shortages and aggravating environmental degradation. It is critical to address these challenges by developing materials that facilitate carbon-free technologies. MXenes, an emerging member of the 2D nanomaterials family, has distinctive features in terms of clean energy production and storage. This review analyzes various MXenes synthesis methods based on several key factors. The review focuses on MXenes' applications in energy storage devices, particularly in rechargeable batteries and supercapacitors. MXenes exhibit exceptional electrochemical performance due to their high specific surface area, excellent electrical conductivity, and unique interlayer spacing, enabling efficient charge storage and fast ion diffusion. We discuss their implementation as electrode materials in lithium-ion batteries, sodium-ion batteries, lithium-sulphur batteries, metal air batteries and supercapacitors. Moreover, the review examines the applications of MXenes in hydrogen (H2) production technologies. MXenes have shown tremendous potential as photo/electrocatalysts for water splitting, a key process in renewable hydrogen production. Their unique surface chemistry and tunable electronic properties enable efficient hydrogen evolution reaction (HER) activity. We discuss the recent advancements in developing MXene-based photo/electrocatalysts with their exceptional catalytic performance and durability. Furthermore, we highlight the challenges and prospects associated with MXenes' applications in energy storage and H2 production. Strategies for improving the stability, scalability, and overall performance of MXenes are discussed. This review not only provides a comprehensive analysis of the recent research efforts but also serves as a guide for future research directions in utilizing MXenes to address the global energy and sustainability challenges.

当前,世界面临着满足日益增长的绿色能源生产需求的重大挑战。由于能源短缺加剧和环境恶化,清洁能源技术的发展受到了广泛关注。通过开发促进无碳技术的材料来应对这些挑战至关重要。MXenes是2D纳米材料家族中的一个新兴成员,在清洁能源生产和储存方面具有独特的特点。本文基于几个关键因素分析了MXenes的各种合成方法。综述了MXenes在储能设备中的应用,特别是在可充电电池和超级电容器中的应用。MXenes由于其高比表面积、优异的导电性和独特的层间间距而表现出优异的电化学性能,能够实现高效的电荷存储和快速的离子扩散。我们讨论了它们作为电极材料在锂离子电池、钠离子电池、锂硫电池、金属空气电池和超级电容器中的应用。此外,综述了MXenes在氢气(H2)生产技术中的应用。MXenes作为水分解的光/电催化剂显示出巨大的潜力,水分解是可再生氢气生产的关键过程。它们独特的表面化学性质和可调的电子性质使其具有高效的析氢反应(HER)活性。我们讨论了开发MXene基光电催化剂的最新进展,这些催化剂具有优异的催化性能和耐用性。此外,我们强调了MXenes在储能和H2生产中应用的挑战和前景。讨论了提高MXenes的稳定性、可扩展性和整体性能的策略。这篇综述不仅对最近的研究工作进行了全面分析,还为利用MXenes应对全球能源和可持续性挑战的未来研究方向提供了指导。
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引用次数: 0
Synthesis of Na0.02Bi0.98FeO3-δ through the standardized preparation of BiFeO3 标准化BiFeO3制备Na0.02Bi0.98FeO3-δ
Q1 Materials Science Pub Date : 2023-10-10 DOI: 10.1016/j.mset.2023.10.003
Adán de Jesús Bautista-Morantes, Carlos Ordulio Calderón-Carvajal, Jairo Alberto Gómez-Cuaspud, Enrique Vera-López

This research describes the synthesis of the ferroelectric perovskite Na0.02Bi0.98FeO3-δ using a low-cost solid-state method starting from a bismuth ferrite BiFeO3 structure in order to obtain a material with improved properties for photovoltaic applications. The synthesized materials were characterized by X-ray Diffraction (XRD) technique to determine the effective synthesis conditions for six undoped BiFeO3 samples obtained at different calcination temperatures and quantified by Rietveld® refinement of diffraction patterns, finding homogeneous phase formation at 810 °C under laboratory conditions. The effective synthesis temperature allowed obtaining a stable perovskite-type material, doped with Na+ and its structural characterization by XRD showed a structural modification in the unit cell with respect to BiFeO3 due to the incorporation of sodium cation. The binding energies determined by X-ray photoelectron spectroscopy (XPS) confirmed the formation of the main crystalline phase and the insertion of Na+ cations inside perovskite structure. The morphological characterization by scanning electron microscopy (SEM) of the synthesized material showed the formation of two stable morphologies: Bi2Fe4O9 and Na0.02Bi0.98FeO3-δ as the predominant phase. The optical characterization by Raman spectroscopy allowed identifying variations in the vibration modes of the perovskite doped with respect to undoped bismuth ferrite. The variation of the optical bandgap was determined using the Tauc’s equation and the electrical characterization by solid state electrochemical impedance spectroscopy (SS-EIS) demonstrated an increase in electrical conductivity, at room temperature, by the Na+ doped perovskite, proving an optimal behavior for its potential uses as a semiconductor. The results indicate that the current methodology is promising for the low-cost production of Na0.02Bi0.98FeO3-δ type perovskites for photovoltaic applications.

本研究描述了从铋铁氧体BiFeO3结构开始,使用低成本的固态方法合成铁电钙钛矿Na0.02Bi0.98FeO3-δ,以获得用于光伏应用的具有改进性能的材料。通过X射线衍射(XRD)技术对合成材料进行表征,以确定在不同煅烧温度下获得的六个未掺杂BiFeO3样品的有效合成条件,并通过Rietveld®衍射图细化进行量化,发现在实验室条件下在810°C下形成均匀相。有效的合成温度允许获得稳定的掺杂有Na+的钙钛矿型材料,并且通过XRD对其结构表征显示,由于钠阳离子的掺入,相对于BiFeO3,晶胞中存在结构修饰。通过X射线光电子能谱(XPS)测定的结合能证实了主晶相的形成和Na+阳离子插入钙钛矿结构中。通过扫描电子显微镜(SEM)对合成材料的形貌表征表明,形成了两种稳定的形貌:Bi2Fe4O9和Na0.02Bi0.98FeO3-δ为主相。拉曼光谱的光学表征允许识别掺杂的钙钛矿相对于未掺杂的铋铁氧体的振动模式的变化。光学带隙的变化是使用Tauc方程确定的,固态电化学阻抗谱(SS-EIS)的电学表征表明,在室温下,Na+掺杂的钙钛矿的电导率增加,证明了其作为半导体的潜在用途的最佳行为。结果表明,目前的方法有望低成本生产用于光伏应用的Na0.02Bi0.98FeO3-δ型钙钛矿。
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Materials Science for Energy Technologies
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