Article
Chemistry, Inorganic & Nuclear
Xian-Lan Chen, Bao-Feng Shan, Zong-Yan Zhao, Jin Zhang, Qing-Ju Liu
Summary: This study introduces a robust screening methodology and band-structure engineering to design efficient photocatalysts. It reveals the formation rules for CuM1-xM ' O-x(2) solid solutions and the nonlinear relationship between composition and band gaps. By optimizing the constituent elements and adjusting solubility, the band structure of the catalysts can be fine-tuned to improve light absorption and reduction potentials for efficient hydrogen production.
DALTON TRANSACTIONS
(2023)
Article
Materials Science, Ceramics
Yuqiao Zhang, Hai Jun Cho, Kenyu Sugo, Masashi Mikami, Sungmin Woo, Myung-Chul Jung, Yao-Hua Zhuang, Bin Feng, Yu-Miin Sheu, Woosuck Shin, Woo Seok Choi, Myung Joon Han, Yuichi Ikuhara, Hiromichi Ohta
Summary: The study shows that the thermal conductivity of electron-doped SrTiO3 is lower than assumed, with the highest ZT exceeding 0.1 at room temperature. The impact of carrier concentration on thermal conductivity varies in different solid solutions, providing insights for the future design of electron-doped SrTiO3-based thermoelectric materials.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2021)
Article
Chemistry, Physical
Yishui Ding, Xiangyu Hou, Tengyu Jin, Yanan Wang, Xu Lian, Yuan Liu, Yihe Wang, Sisheng Duan, Xiangrui Geng, Meng Wang, Jingyu Mao, Yuanyuan Zhang, Peirong Tang, Minghua Li, Huamao Lin, Yao Zhu, Siewlang Teo, Qiang Zhu, Ming Lin, Wei Chen
Summary: In this study, the growth mechanism and interfacial chemistry of ultrathin platinum and molybdenum films on high-crystalline Al1-xScxN surface were investigated. The chemical and electronic structure evolution of the interface during the deposition process were examined using in-situ X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy. The structural properties of the interface were characterized by cross-sectional transmission electron microscopy, X-ray diffraction spectroscopy, and atomic force microscopy. The study reveals the formation of ionic Pt2+-N bonds at the Pt/Al1-xScxN interface, while molybdenum does not bond with the substrate. Furthermore, electron transfer induces upward band-bending effects on the Al1-xScxN surface upon both platinum and molybdenum interactions. The research on the chemical and structural properties of ultrathin metal electrodes and Al1-xScxN interfaces provides guidance for designing high-performance micro-electromechanical devices.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Kristaps Sars, Agris Be
Summary: We conducted an experimental and computational study on the formation of solid solutions between structurally similar active pharmaceutical ingredients droperidol and benperidol in different structures. The formation of solid solutions was found to be strongly dependent on the crystal structure of the phase. In some structures, almost complete replacement of benperidol with droperidol was achieved, while in others, the replacement was limited. The formation of solid solutions was primarily determined by the change in intermolecular interaction energy resulting from molecule replacement.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Physical
Seokyeong Byeon, Bartlomiej Wiendlocha, Johannes de Boor, Kornelius Nielsch, Hyungyu Jin
Summary: In this study, the authors analyze the effect of Mg deficiency on the thermoelectric properties of the Mgx(Si, Sn) system. It is found that Mg deficiency induces point defects and phase separation, which alter the band structure. The measurements and calculations show that Mg deficiency leads to p-type behavior and a lower carrier concentration. Furthermore, Mg deficiency reduces the thermal conductivity and enhances the p-type thermoelectric performance of Mg silicides.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Nanoscience & Nanotechnology
Yuqiao Zhang, Hai Jun Cho, Feng Jiang, Chengliang Xia, Yue Chen, Weishu Liu, Hiromichi Ohta
Summary: The modulation of electrical and thermal conductivities of BTNO epitaxial films was systematically investigated in this study. By controlling the Ti/Nb ratio, both the lattice structures and conduction band were modulated, affecting the electrical and thermal conductivities. A phase transition was detected at x similar to 0.5, impacting both the electron and heat transports. By controlling the lattice distortion, conduction band, and phase transition, the electrical and thermal conductivity of BTNO epitaxial films can be modulated within a much greater range.
Article
Engineering, Mechanical
Zhongliang Xie, Jian Jiao, Tao He, Fangcheng Xu, Jianbo Zhang
Summary: This paper investigates the lubrication mechanisms of a novel water-lubricated bearing considering thermal effect. A revised thermodynamic lubrication model with FSI and thermal methodology is built, and the static characteristic parameters of water-film and the variation laws of the liner are studied. The effects of rotational speeds, eccentricity ratios, and liner thickness on thermal performances are analyzed, and the internal mechanisms of the large temperature difference are revealed. Results provide theoretical support for the design and application of such bearings and enrich the theoretical systems of lubrication regime.
TRIBOLOGY INTERNATIONAL
(2023)
Article
Chemistry, Multidisciplinary
Xiaoyang Ma, Dechun Li
Summary: This study investigates the phase diagram and properties of monolayer As1-xPx solid solutions from a theoretical perspective and finds that they tend to have phase-separating structures at low temperatures and form disordered solid solutions at higher temperatures. The disordered solid solutions are expected to hold piezoelectric properties due to the disruption of inner symmetry caused by random atomic arrangement.
ADVANCED MATERIALS INTERFACES
(2022)
Article
Chemistry, Physical
Juliusz Leszczynski, Krzysztof Kapera, Adrian Mizera, Pawel Nieroda, Andrzej Kolezynski
Summary: This study attempted to achieve n-type conductivity in tetrahedrites by doping with magnesium. The experimental results showed that Mg doping reduces the concentration of holes, but sufficient magnesium doping to achieve n-type conductivity was not successful.
Article
Chemistry, Multidisciplinary
Hongyao Xie, Zhi Li, Yukun Liu, Yinying Zhang, Ctirad Uher, Vinayak P. Dravid, Christopher Wolverton, Mercouri G. Kanatzidis
Summary: It is found that the off-centering effect of Ag atoms in Ag-alloyed solid solutions leads to crystallographic distortion, extra strong acoustic-optical phonon scattering, and extremely low lattice thermal conductivity. The modified Klemens model, which integrates alloy scattering and the off-centering effect, is developed to predict the thermal conductivity of diamondoid solid solutions. Finally, Cu1-xAgxGaTe2 solid solutions are demonstrated as promising p-type thermoelectric materials.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Tanmay Malakar, Carly S. Hanson, James J. Devery, Paul M. Zimmerman
Summary: The study utilizes computational modeling to predict interactions between carbonyl compounds and FeCl3 in solution, which are then validated through experiments. The experimental results show that under different molar ratios of carbonyl to FeCl3, distinct structures have varying effects on the spectra.
Article
Construction & Building Technology
Filippo G. Pratico, Rosario Fedele, Gianfranco Pellicano
Summary: This study investigated the relationships between road acoustic response (RAR) and Frequency Response Functions (FRFs) in asphalt mixtures added with different percentages of crumb rubber. Results showed that CR content can lower the mechanical impedance, dynamic stiffness, and acoustic response of the asphalt mixtures in the 0.4-3.2 kHz range. Further investigations are needed for a better understanding of CR impact on tyre/road noise.
CONSTRUCTION AND BUILDING MATERIALS
(2021)
Article
Chemistry, Inorganic & Nuclear
Hailiang Huang, Tao Lin, Qi Fu, Lu Chen, Qingyu Hou, Cong Li, Gehui Wen
Summary: The Cr1-xTixO2 solid solution was synthesized and studied experimentally and computationally. The crystal structure, saturation magnetization, and Curie temperature of the samples were found to change with increasing x. Density functional theory calculations showed good agreement with experimental results.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Karuvatta Nubla, Muhammed Fasil Puthiyaparambath, Raghu Chatanathodi, N. Sandhyarani
Summary: The sluggish oxygen reduction kinetics in the cathode of direct methanol fuel cells (DMFCs) limits their overall performance. A non-precious metal catalyst, such as AgVO3 nanorods, demonstrates superior methanol tolerance and durability compared to Pt/C catalyst.
MATERIALS CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Physical
Ioanna Ioannou, Panagiotis S. Ioannou, Andreas Delimitis, Yaniv Gelbstein, Ioannis (John) Giapintzakis, Theodora Kyratsi
Summary: Mechanical alloying synthesis was used for thermoelectric half-Heusler materials to explore its scalability. Different methods like adjusting the Ti/Hf ratio and fine tuning carrier concentration were applied to improve the thermoelectric performance, resulting in significant enhancement of ZT values.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Yerassyl Yerlanuly, Dennis Christy, Ngo Van Nong, Hiroki Kondo, Balaussa Ye Alpysbayeva, Rakhymzhan Zhumadilov, Renata R. Nemkayeva, Tlekkabul S. Ramazanov, Masaru Hori, Maratbek T. Gabdullin
Summary: This work presents experimental results on the synthesis of carbon nanowalls (CNWs) with predetermined morphology using two different methods, RF-PECVD and RI-PECVD. Microstructure analysis shows that the reproducibility of membrane morphology by CNWs is time-dependent. RF-PECVD leads to flat and thicker nanowalls, while RI-PECVD results in more vertical and self-supported nanowalls.
FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES
(2023)
Article
Chemistry, Physical
Youbing Li, Shuairu Zhu, Erxiao Wu, Haoming Ding, Jun Lu, Xulin Mu, Lu Chen, Yiming Zhang, Justinas Palisaitis, Ke Chen, Mian Li, Pengfei Yan, Per O. a. Persson, Lars Hultman, Per Eklund, Shiyu Du, Yongbo Kuang, Zhifang Chai, Qing Huang
Summary: Researchers have designed a new Ta2CoC@Ta(2)CTx core-shell structure that exhibits excellent catalytic performance in alkaline electrolyte environments, making it suitable for electrocatalytic hydrogen and oxygen production. This study provides a new strategy for designing multifunctional electrocatalysts and paves the way for the development of MAX phase-based materials in clean energy applications.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Nanoscience & Nanotechnology
Swapnil Ghodke, Motoyuki Murashima, Dennis Christy, Ngo Van Nong, Kenji Ishikawa, Osamu Oda, Noritsugu Umehara, Masaru Hori
Summary: The mechanical properties, including compressive strength and modulus, of the maze-like CNW structure synthesized by RI-PECVD technique were analyzed using nanoindentation method, revealing an elastoplastic behavior.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2023)
Article
Materials Science, Coatings & Films
Grzegorz Sadowski, Rui Shu, Arnaud le Febvrier, Zhijia Han, Denis Music, Weishu Liu, Per Eklund
Summary: Mg3Bi2-based compounds have attracted great interest for thermoelectric applications near room temperature. Undoped p-type Mg3SbxBi2-x thin films were successfully synthesized using magnetron sputtering at a growth temperature of 200 ? on different substrates. The synthesized thin films exhibited a La2O3-type crystal structure and showed a semiconductive behavior. Increasing the Bi content was found to improve the electrical resistivity and power factor near room temperature. Thin films synthesized at low temperatures can open up novel possibilities for flexible devices on heat-sensitive substrates.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
(2023)
Article
Materials Science, Coatings & Films
Sanath Kumar Honnali, Charlotte Poterie, Arnaud le Febvrier, Daniel Lundin, Grzegorz Greczynski, Per Eklund
Summary: A common design of sputtering systems integrates multiple magnetron sources in a tilted closed-field configuration, impacting the magnetic field and plasma characteristics. This study deposited multicomponent TiZrNbTaN coatings using DC magnetron sputtering and HiPIMS with different substrate biases. The results showed that the closed-field design led to higher magnetic field strength at the substrate and increased substrate ion current. The film microstructure and properties varied with the deposition method and design, with HiPIMS resulting in higher stress and hardness compared to DCMS.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
(2023)
Article
Materials Science, Multidisciplinary
Erik Ekstrom, Simon Hurand, Arnaud le Febvrier, Anna Elsukova, Per O. A. Persson, Biplab Paul, Fredrik Eriksson, Geetu Sharma, Oleksandr Voznyy, Davide G. Sangiovanni, Ganpati Ramanath, Per Eklund
Summary: Realizing stress-free inorganic epitaxial films on weakly bonding substrates is of importance for applications that require film transfer onto surfaces that do not seed epitaxy. Here, we demonstrate van der Waals epitaxy of stress-free films of a non-layered material VO2 on mica. The films exhibit out-of-plane 010 texture with three inplane orientations inherited from the crystallographic domains of the substrate.
MATERIALS & DESIGN
(2023)
Article
Engineering, Electrical & Electronic
Binbin Xin, Biplab Paul, Arnaud le Febvrier, Per Eklund
Summary: Thin-film Ni-Ca3Co4O9 and Ni-Mo thermocouples were synthesized using stepwise magnetron-sputtering/annealing with masks. Ni-Ca3Co4O9 thermocouples showed higher output voltage than Ni-Mo thermocouples due to a large positive Seebeck voltage. The stability and ability to make free-standing films of Ca3Co4O9 films, along with their high Seebeck coefficient, make them suitable for use as p-type legs in thermocouples, with implications for free-standing and flexible thermoelectric devices.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2023)
Article
Multidisciplinary Sciences
Haoming Ding, Youbing Li, Mian Li, Ke Chen, Kun Liang, Guoxin Chen, Jun Lu, Justinas Palisaitis, Per O. A. Persson, Per Eklund, Lars Hultman, Shiyu Du, Zhifang Chai, Yury Gogotsi, Qing Huang
Summary: Intercalated layered materials provide distinctive properties and serve as precursors for important 2D materials. This study presents a structural editing protocol for layered carbides (MAX phases) and their 2D derivatives (MXenes). Gap-opening and species-intercalating stages were mediated by chemical scissors and intercalants, resulting in a large family of MAX phases with unconventional elements and structures, as well as MXenes with versatile terminals. The reconstruction of MAX phases and a family of metal-intercalated 2D carbides may drive advances in fields ranging from energy to printed electronics.
Article
Materials Science, Coatings & Films
Hao Du, Rui Shu, Robert Boyd, Arnaud le Febvrier, Ulf Helmersson, Per Eklund, Daniel Lundin
Summary: Growth temperature and ion irradiation energy have significant effects on the crystal structure and residual stress of TiNb-CrAlHfN films. Increasing the growth temperature leads to a change in the film texture and a decrease in compressive stress. On the other hand, varying the energy of Hf+ ions results in a texture transition, with high-surface-energy planes changing to low-surface-energy planes and vice versa. The compressive stress in the films increases with increasing ion energy. These findings demonstrate that the properties of FCC-structured high-entropy nitrides can be tailored by adjusting the growth temperature and ion irradiation energy.
SURFACE & COATINGS TECHNOLOGY
(2023)
Article
Materials Science, Multidisciplinary
Gabriel K. Nzulu, Elena Naumovska, Maths Karlsson, Per Eklund, Martin Magnuson, Arnaud le Febvrier
Summary: Thin films of BaZr1-xScxO3-x/2 with different orientations were deposited on four different substrates. After annealing at 600 degrees C in air, the (100)-oriented films showed higher stability of the structure.
Article
Materials Science, Coatings & Films
Faezeh A. F. Lahiji, Samiran Bairagi, Roger Magnusson, Mauricio A. Sortica, Daniel Primetzhofer, Erik Ekstroem, Biplab Paul, Arnaud le Febvrier, Per Eklund
Summary: NiO thin films exhibit different growth modes on Si(100) and c-Al2O3 substrates, and the optical properties of NiO films are not significantly affected by the oxygen content.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
(2023)
Article
Nanoscience & Nanotechnology
Hao Du, Rui Shu, Robert Boyd, Arnaud le Febvrier, Mauricio A. Sortica, Daniel Primetzhofer, Ulf Helmersson, Per Eklund, Daniel Lundin
Summary: Energetic ion irradiation is used to control the phase formation and structure of AlCrNbTi oxide at a growth temperature of 500 degrees C. By increasing the negative substrate bias, the film structure changes from amorphous to single-phase corundum, followed by the formation of high-number-density stacking faults (or nanotwins).
SCRIPTA MATERIALIA
(2023)
Article
Materials Science, Coatings & Films
Hairui Ma, Qiang Miao, Wenping Liang, Per O. A. Persson, Justinas Palisaitis, Xiguang Gao, Yindong Song, Per Eklund, Arnaud le Febvrier
Summary: This study investigated the structure and mechanical properties of c-TiAlN/h-Cr2N multilayer thin films. The results showed that regardless of the modulation period and thickness ratios, the multilayer films exhibited preferred orientation and well-defined grain boundaries. In terms of mechanical properties, the film with a 20 nm period and 75% Cr2N thickness ratio demonstrated the highest hardness and reduced elastic modulus.
SURFACE & COATINGS TECHNOLOGY
(2023)
Article
Materials Science, Multidisciplinary
Ngo Quang Minh, Ngo Van Nong, Ma Shanlene D. C. Dela Vega, Osamu Oda, Masaru Hori
Summary: A novel structure of carbon nanowalls (CNWs) was synthesized using a two-step growth method combining radical injection plasma-enhanced chemical vapor deposition (RI-PECVD) and capacitively coupled plasma chemical vapor deposition (CCP-CVD). The CNWs grown by this method showed a multi-branched morphology with an average wall distance of -20 nm and a density of -74 wall units/μm2, which was more than 5 times higher than that of CNWs synthesized by the single-step RI-PECVD method. Raman and high-resolution transmission electron microscopy (HRTEM) analyses confirmed that these branched-CNWs were crystalline and comprised of multilayer graphene. The branched-CNWs also exhibited a superhydrophobic property with a static water contact angle of 150 degrees. A possible growth mechanism of the branched-CNWs was proposed based on the time-dependent growth from the second step.
Article
Green & Sustainable Science & Technology
Victor Hjort, Niraj Kumar Singh, Susmita Chowdhury, Rui Shu, Arnaud Le Febvrier, Per Eklund
Summary: Thin films of CrMoVN were deposited on sapphire substrate to investigate the effects of Mo and V on CrN-based films. Mo incorporation affects crystal structure and nitrogen content, while vanadium increases the phase-stability of the cubic phase. Alloying leads to a decrease in Seebeck coefficient and resistivity. Cr0.83Mo0.11V0.06Nz film shows a 70% increase in power factor compared to CrNz.
ADVANCED ENERGY AND SUSTAINABILITY RESEARCH
(2023)