Article
Biochemical Research Methods
Norberto Sanchez-Cruz, Jose L. Medina-Franco, Jordi Mestres, Xavier Barril
Summary: Machine-learning scoring functions have been shown to outperform standard scoring functions for predicting binding affinity of protein-ligand complexes. In this study, Extended Connectivity Interaction Features (ECIF) were introduced to describe protein-ligand complexes and create machine-learning scoring functions with improved predictions. Models built on ECIF achieved high Pearson correlation coefficients, demonstrating the descriptive power of ECIF.
Article
Multidisciplinary Sciences
Shunta Harada, Toshiki Mii, Hitoshi Sakane, Masashi Kato
Summary: This study demonstrates that proton irradiation can suppress the expansion of basal plane stacking faults in SiC epitaxial layers, and this suppression effect remains even after high-temperature annealing. This implies that protons can passivate the dislocation cores and hinder the motion of dislocations under UV illumination.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Physical
Ming Zhou, Luo Cheng, Binze Han, Hao Zhang, Jian Chen, Fangyan Xie, Nan Wang, Yanshuo Jin, Hui Meng
Summary: This study successfully improved the performance of zinc-ion batteries by doping cobalt into MoS2, increasing the capacity by more than five times, and maintaining a high capacity retention rate.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Construction & Building Technology
Yujia Lu, Babak Asadi, Ramez Hajj
Summary: This study aims to provide a comprehensive and fundamental understanding of asphalt binder aging and cracking by connecting its mechanical properties with dynamic microscopic morphology and chemical indices. The results showed that the parameters based on linear viscoelastic analysis and fatigue life were not suitable for delineating the evolution of asphalt binder behavior with aging. However, the poker chip test was found to be sensitive to longer aging cycles and could capture the total degradation of the asphalt binder's ductility. The study also highlighted the importance of morphological observations, specifically fibril formation, in understanding the mechanical performance of asphalt binders.
JOURNAL OF MATERIALS IN CIVIL ENGINEERING
(2023)
Article
Materials Science, Multidisciplinary
Thi Dung Pham, Tien Quang Nguyen, Tomoyuki Terai, Yoji Shibutani, Masaaki Sugiyama, Kazunori Sato
Summary: This paper investigates the interaction between C and edge dislocations in alpha-Fe with different Burgers vectors using the classical force-field method and the Tersoff/ZBL interatomic potential. The interaction is analyzed based on the Voronoi volume formed by C and surrounding Fe atoms. The study finds that the interaction becomes more attractive when the Voronoi volume around C increases. Additionally, it is observed that grain boundaries and dislocations trap C more strongly compared to single vacancies, with more unstable defect structures attracting C more strongly.
MATERIALS TRANSACTIONS
(2022)
Proceedings Paper
Materials Science, Multidisciplinary
Yuqing Jin, Takahiro Kozawa, Kota Aoki, Tomoya Nakamura, Yasushi Makihara, Yasushi Yagi
Summary: Traditional resist materials face challenges with the evolution of lithography in the semiconductor industry due to the introduction of extreme ultraviolet (EUV) light source. The development of resist materials and the discovery of new types are hindered by the generation of defects caused by numerous parameters involved in the resist pattern printing process. Inherent chemical variation in resist materials and processes result in stochastic defects, which become more significant as feature scales decrease. This study proposes a new method for evaluating resist patterns with defects by fitting experimental scanning electron microscopy (SEM) images of line-and-space patterns to simulated images.
ADVANCES IN PATTERNING MATERIALS AND PROCESSES XL
(2023)
Article
Physics, Applied
Mikhail Ved, Yuri Danilov, Polina Demina, Mikhail Dorokhin, Yuri Dudin, Valentina Kotomina, Alexey Kudrin, Yuri Kuznetsov, Anton Zdoroveyshchev, Daniil Zdoroveyshchev
Summary: A magnetic switch with integrated magnetoresistive element and light-emitting diode has been developed for controlling electron vs hole current ratio, triggering electroluminescence, and completely switching off the LED by changing the resistance state. The effect is dependent on the operating current and can have multiple applications like high-speed magnetic field sensor, magnetic field visualizer, or optical device for reading MRAM.
APPLIED PHYSICS LETTERS
(2021)
Article
Physics, Condensed Matter
I. L. Kalentyeva, O. V. Vikhrova, Yu. A. Danilov, A. V. Zdoroveyshchev, M. V. Dorokhin, Yu. A. Dudin, A. V. Kudrin, M. P. Temiryazeva, A. G. Temiryazev, S. A. Nikitov, A. V. Sadovnikov
Summary: The study reveals that implantation of 20-keV He+ ions can modify the domain structure and magnetic properties of CoPt films, leading to changes in coercive field, residual magnetization, and formation of different types of domains. Moreover, ion irradiation enhances the Dzyaloshinski-Moriya interaction and facilitates asymmetric mixing of Co and Pt atoms in the films.
PHYSICS OF THE SOLID STATE
(2021)
Article
Chemistry, Inorganic & Nuclear
M. V. Dorokhin, O. V. Vikhrova, P. B. Demina, I. L. Kalentyeva, P. S. Vergeles, E. B. Yakimov, V. P. Lesnikov, B. N. Zvonkov, M. V. Ved, Yu. A. Danilov, A. V. Zdoroveyshchev
Summary: This study investigated GaAs semiconductor structures for betavoltaic power sources and found that deposition of a carbon layer can improve the performance of the Schottky structure.
APPLIED RADIATION AND ISOTOPES
(2022)
Article
Materials Science, Multidisciplinary
Maxim Knyazev, Daria Sedlovets, Oleg Soltanovich, Igor Khodos, Sergei Koveshnikov
Summary: Graphene-like films (GLFs) are selectively deposited on preirradiated silicon oxide/silicon structures with high conductivity, serving as gate material for metal-oxide-semiconductor (MOS) devices. By carefully tuning both the energy and dose, high-quality capacitance-voltage characteristics can be achieved in GLF-gated MOS structures. A notable current modulation in selectively grown GLFs is observed when using the GLF-gated MOS as a pseudo-field effect transistor structure.
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
P. S. Vergeles, Yu. O. Kulanchikov, A. Y. Polyakov, E. B. Yakimov, S. J. Pearton
Summary: To achieve low leakage in GaN-based power devices and improve reliability in optoelectronic devices, reducing the dislocation density in GaN epitaxial layers is necessary. This study investigates the effect of electron-beam irradiation on the displacement of freshly introduced dislocations in GaN and finds that they can be displaced up to distances of 10-15 μm from the beam position. The analysis suggests that the existence of a large density of pinning defects is the main factor limiting the dislocation displacement in GaN.
ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
(2022)
Article
Materials Science, Multidisciplinary
L. A. Mochalov, Yu. M. Kuznetsov, M. V. Dorokhin, D. G. Fukina, A. V. Knyazev, M. A. Kudryashov, Yu. P. Kudryashova, A. A. Logunov, O. V. Mukhina, A. V. Zdoroveyshchev, D. A. Zdoroveyshchev
Summary: In this study, ternary chalcogenide PbSeTe thin films with excess of tellurium were fabricated using plasma-enhanced chemical vapor deposition technique. The structural properties and composition of the films were characterized, and the influence of film composition on thermoelectric characteristics was investigated.
Article
Materials Science, Multidisciplinary
I. L. Kalentyeva, O. V. Vikhrova, Yu. A. Danilov, M. V. Dorokhin, B. N. Zvonkov, Yu. M. Kuznetsov, A. V. Kudrin, D. V. Khomitsky, A. E. Parafin, P. A. Yunin, D. V. Danilov
Summary: The investigation found that laser annealing has a significant effect on the structural, magnetic, and electrical properties of the thinnest (Ga,Mn)As layer. The activation of Mn impurity, increase in Curie temperature, and dissolution of MnAs clusters were observed in this layer. Model calculations showed that the melting point temperature of MnAs is not achievable throughout the entire layer in thicker layers (under the chosen conditions of pulsed laser annealing).
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Sergei Koveshnikov, Oleg Kononenko, Oleg Soltanovich, Olesya Kapitanova, Maxim Knyazev, Vladimir Volkov, Eugene Yakimov
Summary: Graphene oxide, among various graphene derivatives, is the most studied material due to its reliable and repeatable resistive switching properties. Researchers have identified three operative mechanisms responsible for this resistive switching, including metallic-like filamentary conduction, contact resistance modification, and oxidation/reduction in the bulk of graphene oxide.
Article
Chemistry, Physical
Mikhail V. Dorokhin, Anton V. Zdoroveyshchev, Marina P. Temiryazeva, Alexei G. Temiryazev, Polina B. Demina, Olga V. Vikhrova, Alexey V. Kudrin, Irina L. Kalentyeva, Mikhail V. Ved, Anastasia N. Orlova, Vladimir N. Trushin, Alexandr V. Sadovnikov, Dmitry A. Tatarskiy
Summary: We investigated the magnetic properties and micromagnetic structure of multilayer Co/Pt films with varying bilayer thickness. Magnetic force microscopy and Lorentz transmission electron microscopy revealed the presence of Néel-type skyrmions in the films, with the density strongly dependent on the bilayer thickness parameter. The observed effects are attributed to the Dzyaloshinskii-Moriya interaction, which is influenced by the regularities of magnetic and nonmagnetic layers alternation. We highlight the controllability of the skyrmion density in this system through modulation of technological parameters.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Multidisciplinary
Igor Rozhansky, Ina Kalitukha, Grigorii S. Dimitriev, Olga S. Ken, Mikhail Dorokhin, Boris N. Zvonkov, Dmitri S. Arteev, Nikita S. Averkiev, Vladimir L. Korenev
Summary: Hybrid structures combining ferromagnetic and semiconductor constituents have great potential for future applications in spintronics. A systematic approach to study spin-dependent transport in a GaMnAs/GaAs/InGaAs quantum well hybrid structure is developed, using spin electromotive force measurements and photoluminescence detection. This method provides a powerful tool for studying the properties of such hybrid structures and can be applied to other systems, including 2D van der Waals materials.
Article
Thermodynamics
M. V. Dorokhin, Yu. M. Kuznetsov, P. B. Demina, I. V. Erofeeva, A. Yu. Zavrazhnov, M. S. Boldin, E. A. Lantsev, A. A. Popov, A. V. Boryakov, A. V. Zdoroveyshchev, M. V. Ved, D. A. Zdoroveyshchev, M. G. Korotkova
Summary: This paper discusses the modulation of GexSi1-x spark plasma sintering technique using silicon phosphide as a source of n-type doping. It is found that replacing toxic phosphorus with SiP reduces safety requirements and enhances the thermoelectric properties of GexSi1-x material.
NANOSCALE AND MICROSCALE THERMOPHYSICAL ENGINEERING
(2023)
Article
Materials Science, Multidisciplinary
E. B. Yakimov, V. I. Nikolaev, A. I. Pechnikov, A. Y. Polyakov, I. V. Shchemerov, A. A. Vasilev, Y. O. Kulanchikov, P. S. Vergeles, E. E. Yakimov, S. J. Pearton
Summary: The kappa-Ga2O3 polytype has a high spontaneous electric polarization and its transport and photoconductive properties are investigated. The electron beam induced current gain effect in Schottky barriers on thick films of kappa-Ga2O3 is studied. The gain is shown to occur in the depletion region of the Schottky barrier and is only present in some specific regions.
ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
(2023)
Article
Chemistry, Analytical
Eugene B. Yakimov, Yury O. Kulanchikov, Pavel S. Vergeles
Summary: The dynamics of dislocations introduced into GaN layers grown using different methods and with different dislocation densities were investigated. It was found that dislocation glide in GaN is possible even at room temperature with a lower than 1 eV Peierls barrier. The mobility of dislocations in GaN is determined by both overcoming the Peierls barrier and localized obstacles. Thread dislocations were found to be effective obstacles for basal plane dislocation glide. Under low-energy electron beam irradiation, the activation energy for dislocation glide decreases, indicating that localized obstacles become the main controlling factor.
Article
Materials Science, Multidisciplinary
Mikhail Dorokhin, Mikhail V. Ved, Polina B. Demina, Denis Khomitsky, Kirill S. Kabaev, Miguel A. G. Balanta, Fernando Iikawa, Boris N. Zvonkov, Natalia Dikareva
Summary: The introduction of a ferromagnetic Mn layer in GaAs/InGaAs quantum wells leads to interesting spin-related phenomena such as spin-memory effect, which is induced by interaction between Mn and spin-polarized holes. Analysis of the polarization kinetics of quantum-well photoluminescence reveals a strong influence of magnetic interaction between holes and pre-polarized Mn atoms on circular polarization degree.
Article
Chemistry, Physical
Qi-Wen Chen, Ze-Qing Guo, Jian-Ping Zhou
Summary: Multifunctional continuous solid solutions NFMTO-x were successfully synthesized via a one-step hydrothermal method by controlling the ratio of Mg and Fe. The NFMTO-x materials exhibited enhanced visible light response, effective adsorption and photocatalytic degradation of organic pollutants, CO2 methanation capability, and easy recyclability due to their magnetic properties. This research provides a significant multifunctional material for water purification.
APPLIED SURFACE SCIENCE
(2024)
Review
Chemistry, Physical
George E. Stan, Maziar Montazerian, Adam Shearer, Bryan W. Stuart, Francesco Baino, John C. Mauro, Jose M. F. Ferreira
Summary: Bioactive glasses have the ability to form strong bonds with tissues and release therapeutic ions. However, their biomechanical compatibility limits their use in load-bearing applications. The use of magnetron sputtering technology to fabricate BG coatings shows promise in improving their efficacy and potential for application.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Zhaoxuan Wang, Zhicheng Yan, Zhigang Qi, Yu Feng, Qi Chen, Ziqi Song, Meng Huang, Peng Jia, Ki Buem Kim, Weimin Wang
Summary: The corrosion behavior of Fe-60 and Fe-83 ribbons in 0.6 M NaCl was studied. Fe-60 exhibited a local corrosion mode and formed a stable passivation film with higher corrosion resistance, while Fe-83 showed a combination of local and global corrosion modes and had lower corrosion resistance. Controlling the precipitation of nanocrystalline phases and increasing the POx content in the passivation film significantly improved the corrosion resistance of Fe-based glassy alloys.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Hao-Kai Peng, Sheng-Yen Zheng, Wei-Ning Kao, Ting-Chieh Lai, Kai-Sheun Lee, Yung- Hsien Wu
Summary: This study investigates the effects of high energy/fluence proton radiation on the performance of HfZrOx-based FeFETs memory with different Zr content. The results show that the characteristics of FeFETs are influenced by proton radiation, and the extent of the influence depends on the Zr content. FeFETs with 50% Zr content exhibit minimal changes in memory window and demonstrate good endurance and retention performance.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Zongyi Yue, Guangyi Wang, Zengguang Huang, Sihua Zhong
Summary: In this study, AZO and ITO films were successfully tuned as excellent passivation layers for c-Si surfaces, achieving effective minority carrier lifetime and outstanding optical properties through the optimization of annealing temperature and interfacial silicon oxide.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Martin Hruska, Jan Kejzlar, Jaroslav Otta, Premysl Fitl, Michal Novotny, Jakub Cizek, Oksana Melikhova, Matej Micusik, Peter Machata, Martin Vrnata
Summary: This paper presents a detailed study on the hydrogen sensing capabilities of highly nanoporous black gold films. The films exhibit fast response and recovery times at low temperatures. Different levels of nanoporosity were prepared and tested to investigate the sensing properties, and it was found that nanoporous black gold is suitable for hydrogen sensing. The sensitivity of the film depends on its nanoporosity.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yupu Wang, Gaofeng Teng, Chun To Yiu, Junyi Zhu
Summary: In the study of BM-SCO and HSCO thin films, it was found that H vacancies tend to prefer sites near the external surface or oxygen vacancy channels (OVCs), while H interstitials prefer sites of oxygen on a layer that contains six-fold coordinated Co. These findings not only enrich the understanding of complex surface phenomena of defect formation but also provide an explanation for the reversibility during phase transformation.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Jiafeng Lu, Linping Teng, Qinxiao Zhai, Chunhua Wang, Matthieu Lancry, Ye Dai, Xianglong Zeng
Summary: In this study, we achieved full control of fiber nanograting orientation by manipulating laser polarization, and tailored space variant fiber nanogratings, which expanded the diversity in fiber nanograting engineering.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yibo Liu, Yujie Tao, Yue Liu, Qi Sun, Qinrong Lin, Kexin Kang, Qinghua Zhang, Qingjie Sun
Summary: This study investigates the wettability of the Ti-Cu-Fe multi-metal system, specifically the wetting behaviors of CuSi3 droplets on TC4 and 304SS plates. The results show that the CO2 + Ar gas atmosphere significantly affects interfacial mass transfer, thus influencing the wettability of the systems.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Jimei Liu, Fei Wang, Rong Guo, Yuqi Liu, Mengyu Zhang, Jaka Sunarso, Dong Liu
Summary: This study developed Co/MXene composites with anti-corrosion properties by varying the cobalt content. These composites exhibited remarkable electromagnetic absorption performance and high resistance to corrosion under various corrosive conditions. The study also revealed the mechanism of electron transfer from cobalt to MXene and the electromagnetic dissipation behavior originated from polarization loss alone.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Moujie Huang, Yongsong Ma, Jingbo Yang, Lingyun Xu, Hangqi Yang, Miao Wang, Xin Ma, Xin Xia, Junhao Yang, Deli Wang, Chuang Peng
Summary: Strong metal-support interactions (SMSIs) are important for enhancing catalytic activities and stability in thermal catalysis. This study demonstrates a method to create SMSIs in electrocatalysis using carbon nanotubes and Ru nanoparticles, resulting in excellent catalytic activity and stability.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Ravi Trivedi, Brinti Mondal, Nandini Garg, Brahmananda Chakraborty
Summary: This study explores the potential of biphenylene as a nanocarrier for the delivery of the anticancer drug cisplatin. It is found that biphenylene offers physical stability, rapid release rate, solubility, and bio-compatibilities compared to other nanocarriers. The adsorption of cisplatin on the surface of biphenylene involves charge transfer from cisplatin to biphenylene. The drug is shown to be released at body temperature in an acidic environment. Biphenylene also exhibits excellent cytotoxicity activity and cellular uptake of the drug. Overall, biphenylene shows promise as a potential nanocarrier for cisplatin delivery.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Hyun Jeong, Hyeong Chan Suh, Ga Hyun Cho, Rafael Salas-Montiel, Hayoung Ko, Ki Kang Kim, Mun Seok Jeong
Summary: In this study, a potential platform to enhance Raman scattering and increase the number of observable Raman modes in monolayer transition metal dichalcogenides (TMDs) was proposed. The platform consisted of large-scale arrays of gold micropillars (MPs), which were able to enhance the Raman intensity of TMDs and make difficult-to-detect Raman modes observable. The platform showed great industrial advantages and wide applicability due to its low cost, simple process, large controllable area, and short process time.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yasir Abbas, Shafqat Ali, Sajjad Ali, Waqar Azeem, Zareen Zuhra, Haoliang Wang, Mohamed Bououdina, Zhenzhong Sun
Summary: In this study, FeOx@SPNO-C core-shell nanospheres as a catalyst for degradation of sulfamethoxazole (SMX) were successfully synthesized. The synergistic interaction between FeOx and SPNO-C, high carbon charge density, and the presence of C = O groups and N/Fe-Nx sites were found to be key factors for the enhanced degradation of SMX.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Qiaoting Yang, Yuxiao Gong, Yan Qian, Zhou-Qing Xiao, Serge Cosnier, Xue-Ji Zhang, Robert S. Marks, Dan Shan
Summary: This study proposes a hierarchical confinement strategy to design Prussian blue nanoparticles (PB NPs) with satisfactory electrocatalytic ability and stability. The catalytic synthesis of PB NPs is achieved through a hydrothermal process, and the as-prepared PB@NH2MIL exhibits efficient electronic transmission and enhanced electrocatalytic properties.
APPLIED SURFACE SCIENCE
(2024)
