Article
Materials Science, Multidisciplinary
Min Zhang, Hui-min Guo, Jin Lv, Jian-feng Jia, Hai-shun Wu
Summary: In this study, the electronic structures and magnetism of 3d transition-metals doped two-dimensional InP3 monolayer were systematically investigated using density functional theory. The results showed that different 3d TMs doping induced varying magnetism, with Fe doping obtaining the largest total magnetic moment. V, Mn, Co, Ni and Zn doping exhibited half-metallicity, while Ti, Cr, Fe, Cu doping showed dilute magnetic semiconductor properties. Additionally, the Fe doped system displayed the largest perpendicular magnetic anisotropy energy.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2021)
Article
Nanoscience & Nanotechnology
Chi Zhang, Baozeng Zhou, Xiaocha Wang
Summary: In this study, the adsorption energy, stable geometry, electronic structure, and magnetic properties of Os, Ir atoms, and their dimers adsorbed on 2D g-C3N4 monolayers were investigated using first-principles calculations. The results showed that Os adsorbed g-C3N4 monolayers exhibit n-type semiconductor characteristics, while Ir-Ir dimers adsorbed g-C3N4 monolayers display promising magnetic properties under different strains. Overall, the 5d transition metal atoms and their dimers adsorbed on g-C3N4 monolayers show potential applications in spintronic devices.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
(2021)
Article
Materials Science, Multidisciplinary
Hassan Denawi, Mathieu Abel, Olivier Siri, Roland Hayn
Summary: The electronic and magnetic properties of one-dimensional polymers of zwitterionic quinone (ZQ) molecules with 4d and 5d transition metals (TM) were studied using density functional calculations. The calculations showed a pronounced magnetic character for certain TM-ZQ polymers, with local magnetic moments and ferromagnetic or antiferromagnetic exchanges. Spin-polarized semiconductors with high magnetic anisotropy energies were found, making them promising candidate materials for spintronics.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2021)
Article
Nanoscience & Nanotechnology
H. Zou, H. Zhang, Z. X. Yang, Z. H. Zhang
Summary: The study focused on inducing magnetism in two-dimensional materials by doping antimonene nanoribbons with low concentration transition metal atoms. Stable structures with interesting magnetic phases were found, including magnetic half-metal, magnetic half-semiconductor, and bipolar magnetic semiconductor, depending on the type of transition metal atom. A Mn-doped ribbon-based magnetic device demonstrated excellent spin transport behaviors, showing perfect double spin-filtering effect, excellent dual spin diode performance, and giant magnetoresistance up to 109%.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
(2021)
Article
Chemistry, Physical
Siqi Liu, Weiliang Qi, Jue Liu, Xiangjian Meng, Samira Adimi, J. Paul Attfield, Minghui Yang
Summary: The synthesis of transition metal (M = V, Mo, and W) doped cobalt nitride catalyst for solar to hydrogen energy conversion is reported. The as-prepared cobalt nitride was found to contain lattice defects. M-doping improved charge carrier separation efficiency and reaction kinetics by altering the electronic structure and properties of cobalt nitride. The optimal V-Co3.75N0.14-Eosin-Y system exhibited a hydrogen evolution rate of 21.21 μmol·mg-1·h-1 and a quantum efficiency of 38% at 405 nm excitation wavelength, surpassing previous hybrid photocatalysts.
Article
Chemistry, Physical
Zhenxian Zhao, Xianghui Duan, Xiaotian Fang, Xiaocha Wang, Wenbo Mi
Summary: In this study, the electronic structure and magnetic anisotropy of a series of two-dimensional transition metal nitride monolayers (MSi2N4) were systematically analyzed. It was found that ScSi2N4 and VSi2N4 monolayers exhibit half-metallic properties, while TiSi2N4 and CrSi2N4 monolayers are semiconductors. The remaining monolayers are metallic. By applying strain, the metallic monolayers can be transformed into half-metallic or semiconductor ones. Two-dimensional materials with half-metallic abundance and perpendicular magnetic anisotropy have potential applications in spintronic devices.
APPLIED SURFACE SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Huynh Anh Huy, Duy Khanh Nguyen, R. Ponce-Perez, J. Guerrero-Sanchez, D. M. Hoat
Summary: In this work, the structural, electronic, and magnetic properties of SnC monolayer doped with 3d transition metals (TMs) are investigated by means of first-principles calculations. Results indicate that the TMs-doped SnC monolayer exhibits rich electronic structures including magnetic semiconductor and half-metallic properties, which can be used to generate pure spin current. The study suggests that TMs-doped SnC monolayer is a potential candidate for spintronic applications.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Sneha Upadhyay, Pankaj Srivastava
Summary: This study presents a first-principles analysis of the well-known two-dimensional material antimonene, focusing on its structural and electronic properties. It is found that doping antimonene with various atoms such as Ge, Sn, Se, and Te can shift its electronic properties and potentially enable applications in sensors, optoelectronics, and energy storage devices.
JOURNAL OF SOLID STATE CHEMISTRY
(2021)
Article
Nanoscience & Nanotechnology
Xianghui Duan, Baozeng Zhou, Xiaocha Wang
Summary: The adsorption structures of Fe-doped Zr8C4T8 (T = F, O) monolayers were studied by first-principles calculations, and it was found that Fe doping introduces magnetism and changes the electronic properties of the pristine Zr8C4T8 (T = F, O) system. Biaxial strain can be used to control the electronic properties and magnetic anisotropy of the Zr7FeC4O8-I structure. The research results reveal the potential applications of monolayer Zr7FeC4O8-I in spintronic devices.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
(2023)
Article
Physics, Condensed Matter
Peiyan Gao, Yi Zhong, Lanqing Xu, Yongping Zheng, Zhigao Huang
Summary: This paper investigates the magnetic properties of graphdiyne (GDY) doped with 5d transition metal (TM) atoms through first-principles calculations. The TM atoms are stably embedded within the triangular cavities of GDY, resulting in significant magneto-crystal anisotropy energy. The introduction of TM atoms at the top can greatly alter the magneto-crystal anisotropy energy value of the system, leading to a flip in the easy magnetization axis. Moreover, the magneto-crystal anisotropy energy value of Ta@GDY can be modulated by strain. The research unveils GDY as a promising substrate for two-dimensional magnetic materials in future magnetic memory devices.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Chemistry, Physical
A. Musial, W. Marciniak, Z. Sniadecki, M. Werwinski, P. Kuswik, B. Idzikowski, M. Kolodziej, A. Grabias, M. Koppcewicz, J. Marcin, J. Kovac
Summary: In this study, (Fe0.7Co0.3)(2)B alloys doped with W and Re were investigated using a combination of first-principles calculations and experimental methods. The computational analysis showed that only the Re-doped sample exhibited a significant increase in magnetocrystalline anisotropy. Experimental results revealed that isothermal annealing increased the coercive field of all samples, and annealing at 750 degrees C significantly improved the saturation magnetization values. Mössbauer spectroscopy showed a reduction in hyperfine field due to the presence of Co atoms and the formation of additional defect positions by Re and W.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
Miaojia Yuan, Ruishan Tan, Mengmeng Li, Cui Jin, Tao Jing, Qilong Sun
Summary: By using first-principles calculations, the influence of W atom adsorption and biaxial strain on the magnetic properties of 2D material Fe3GeTe2 is investigated. It is found that the adsorption mode and strain play a critical role in determining the magnetocrystalline anisotropy (MCA) of Fe3GeTe2. Adsorption of W atoms leads to a change in spin reorientation and a colossal MCA. The strain-driven modulation of MCA in different adsorption configurations is also revealed.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Biochemical Research Methods
Pragati Malik, Rakhi Thareja, Jyoti Singh, Rita Kakkar
Summary: This paper examines the changes in the properties of II-VI Quantum Dots (QDs) when a shell made of the same family material is coated on their surface. It investigates the structural, electronic, and magnetic properties of doped CdS/ZnS core/shell QDs. The results show that the construction of a shell over the bare QDs can greatly affect their optical properties, and the variation of the shell's cation or anion can result in significant changes in the band gap and electrophilicity. Doping the QDs with transition metal ions enhances their properties and introduces magnetism. This paper provides a strategy for developing QDs with desired properties and offers insights into controlling the magnetoelectronic properties of semiconductor materials through doping.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2022)
Article
Physics, Condensed Matter
Houssam Eddine Hailouf, L. Gacem, A. Gueddim, Ali H. Reshak, K. O. Obodo, B. Bouhafs
Summary: Recent experiments have shown that Na2ZnP2O7 host lattice doped with transition metal ions has potential as luminescent materials. A detailed study using ab-initio DFT-based calculations reveals the effects of Fe dopants on the properties of the host lattice. The electronic band structure, density of states, and dielectric functions of the pristine and doped crystal structure show changes induced by the Fe dopant ion.
PHYSICA B-CONDENSED MATTER
(2023)
Article
Nanoscience & Nanotechnology
Qiang Yang, Xiaohui Hu, Xiaodong Shen, Arkady Krasheninnikov, Zhongfang Chen, Litao Sun
Summary: The study reveals that adsorption of 3d transition-metal (TM) atoms onto CrI3 monolayers can tune their electronic properties, improve ferromagnetic stability, and increase the Curie temperature. The Curie temperature of CrI3 can be increased nearly threefold by adsorption of Sc and V atoms, offering a new pathway for potential applications of TM-CrI3 systems in nanoelectronics and spintronics devices.
ACS APPLIED MATERIALS & INTERFACES
(2021)
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)