4.7 Article

Tailoring magnetism of black phosphorene doped with B, C, N, O, F, S and Se atom: A DFT calculation

期刊

JOURNAL OF ALLOYS AND COMPOUNDS
卷 662, 期 -, 页码 528-533

出版社

ELSEVIER SCIENCE SA
DOI: 10.1016/j.jallcom.2015.12.095

关键词

Phosphorene; Magnetism; Electronic properties; Spin polarization

资金

  1. Program for New Century Excellent Talents in University in State Education Ministry of China [NCET-13-0409]
  2. High Performance Computing Center of Tianjin University, China

向作者/读者索取更多资源

We calculate the electronic structure and magnetism of monolayer phosphorene doped by nonmagnetic atoms. O, S and Se impurities can induce the magnetic moment. O doping makes it become a spingapless semiconductor, but S and Se doping induces a half-metallic characteristic. The p orbital of dopant has a strong hybridization with P around impurities, which induces spin splitting of P and impurities. C induces a metallic character. B acts as n-type dopant and F results in p-type dopant. The magnetism of phosphorene doped by two O atoms strongly depends on the doping sites and distance between two O atoms. (C) 2015 Elsevier B.V. All rights reserved.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.7
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

Article Nanoscience & Nanotechnology

Modulating Exchange Bias, Anisotropic Magnetoresistance, and Planar Hall Resistance of Flexible Co/MnN Epitaxial Bilayers on Mica by Bending Strain

Zuolun Chen, Xiang Liu, Jiawei Jiang, Rui Li, Yue Wang, Liu Guo, Yingdan Xu, Wenbo Mi

Summary: The integration of ferromagnetic/antiferromagnetic bilayers with exchange bias effect on flexible substrates is crucial for flexible spintronics. Here, the epitaxial Co/MnN bilayers are deposited on mica by facing-target sputtering. A large in-plane exchange bias field (HEB) of 1800 Oe with a coercive field (HC) of 2750 Oe appears in the Co (3.8 nm)/MnN (15.0 nm) bilayer at 5 K after field cooling from 300 to 5 K. Effective interfacial exchange energy Jeff of the Co/MnN bilayer is 0.83 erg/cm2. The strain-induced maximum increase of HEB and HC reaches 18% and 21%, respectively, in the Co(3.8 nm)/MnN(15.0 nm) bilayer. Strain-modulated HEB is attributed to the change of interfacial exchange coupling between Co and MnN layers. HEB is inversely proportional to Co thickness but independent of MnN thickness. The change of HEB is less than 5% after 100 bending cycles, indicating mechanical durability.。

ACS APPLIED MATERIALS & INTERFACES (2023)

Article Chemistry, Physical

Prediction of electronic structure and magnetic anisotropy of two-dimensional MSi2N4 (M=3d transition-metal) monolayers

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

Sign reversal and manipulation of anomalous Hall resistivity in facing-target sputtered Pt/Mn4N bilayers

Ze-Yu Zhang, Jia-Wei Jiang, Xiao-Hui Shi, Xiang Liu, Xia Chen, Zhi-Peng Hou, Wen-Bo Mi

Summary: The spin-dependent transport properties of Pt/Mn4N bilayers on MgO (001) substrates have been systematically investigated. The results show that the Hall resistivity of the bilayers is strongly dependent on temperature, applied current intensity, Mn4N and Pt layer thicknesses. The temperature-dependent sign reversal of the anomalous Hall resistivity is dominated by the competition between the magnetic proximity and spin Hall effects. Furthermore, the magnitude of the anomalous Hall resistivity can be manipulated by applied current density.

RARE METALS (2023)

Review Chemistry, Multidisciplinary

Two-dimensional magnetic Janus monolayers and their van der Waals heterostructures: a review on recent progress

Jiawei Jiang, Wenbo Mi

Summary: This review provides a comprehensive overview of the emergent physical properties of magnetic Janus monolayers and their van der Waals heterostructures from a theoretical point of view. The review introduces theoretical methodologies, including state-of-the-art methods and challenges and limitations in validations for the descriptions of magnetic ground states and thermodynamic properties in magnetic materials. The inherent polarization field induced physical phenomena of magnetic Janus monolayers and the tunable electronic and magnetic properties of their heterostructures are discussed.

MATERIALS HORIZONS (2023)

Article Chemistry, Physical

Spin Control and Multifunctional Photocurrent Switch in Chiral Hybrid Organic-Inorganic Perovskites

Yingdan Xu, Yin Xiao, Yong Wang, Wenbo Mi

Summary: Chiral-induced spin selectivity effect provides a new strategy for manipulating electron spin, which can be used to control spin-selective electronic transport and photocurrent response. Chiral magnetic tunnel junctions have the ability to switch spin channels and photocurrent directions.

CHEMISTRY OF MATERIALS (2023)

Article Physics, Applied

Anomalous Hall effect of facing-target sputtered Fe3SnN epitaxial film

Dongyao Zhang, Jiawei Jiang, Rui Li, Wenbo Mi

Summary: Polycrystalline iron tin nitride films were deposited on different substrates with various nitrogen flow rates using the facing-target reactive sputtering method. Epitaxial Fe3SnN(111) films were successfully fabricated on Al2O3(0001) and MgO(111) with a nitrogen flow rate of two standard cubic centimeter per minute. The structures, electronic transport, and magnetic properties were systematically investigated. The temperature-induced transition of charge carriers from electron to hole was observed and the skew scattering mechanism was found to dominate the anomalous Hall effect in the Fe3SnN(111) epitaxial film.

JOURNAL OF PHYSICS D-APPLIED PHYSICS (2023)

Article Engineering, Electrical & Electronic

Spin-Gapless Semiconductors and Quantum Anomalous Hall Effects of Tetraazanaphthotetraphene-Based Two-Dimensional Transition- Metal Organic Frameworks on Spintronics and Electrocatalysts for CO2 Reduction

Yue Wang, Jiawei Jiang, Ji-Jun Zou, Wenbo Mi

Summary: This study successfully fabricated 200 μm single-crystal 2D MOFs and studied their electronic, magnetic, and catalytic properties using first-principles calculations. The results showed that different transition metal 2D MOFs have different properties, providing candidates for the study of spintronics and electrocatalysts.

ACS APPLIED ELECTRONIC MATERIALS (2023)

Article Chemistry, Multidisciplinary

Synthesis of five-layered chiral perovskite nanowires and enacting chiroptical activity regulation

Ying Cui, Jiawei Jiang, Wenbo Mi, Yin Xiao

Summary: We report the fabrication of a five-layer chiral perovskite nanowire and its regulation of polarity preference using chiral phenylethylamine or 2-butylamine as chiral ligands. The chiroptical response of the nanowire is governed by the localized surface chiral potential related to the ligand-induced helical distortion of [PbX6]4- octahedra on the top and bottom layers. By varying the ligand's type or concentration, an optical enantiomeric pair is created, unlocking high-n chiral perovskite nanostructures and providing an additional degree of freedom beyond configurational chirality in regulating polarity.

CELL REPORTS PHYSICAL SCIENCE (2023)

Article Chemistry, Physical

Two-dimensional GdI2/GeC van der Waals heterostructure: Bipolar magnetic semiconductor, high critical temperature and large magnetic anisotropy

Xueping Fan, Jiawei Jiang, Rui Li, Liu Guo, Wenbo Mi

Summary: The band alignment, intrinsic ferromagnetism, Dzyaloshinskii-Moriya interaction, magnetic anisotropy, and critical temperature (TC) of a GdI2/GeC van der Waals (vdW) heterostructure were systematically investigated. The heterostructure exhibited Type-I band alignment, large in-plane magnetic anisotropy energy (MAE) of -0.912 mJ/m2, and a high critical temperature of 466 K. Under biaxial strains, the heterostructure transformed from a semiconductor into a metal, with the easy magnetization axis remaining in-plane and TC increasing. These findings suggest potential applications of the GdI2/GeC vdW heterostructure in spintronic devices.

JOURNAL OF ALLOYS AND COMPOUNDS (2023)

Article Physics, Applied

Ferroelectric polarization tailored spin polarized electronic structure and magnetic anisotropy in two-dimensional ScSi2N4/CuInP2S6 multiferroic heterostructures

Zhenxian Zhao, Xiaocha Wang, Wenbo Mi

Summary: In this paper, the electronic structure and magnetic properties of 2D vdW ScSi2N4/CuInP2S6 heterostructure were investigated using first-principles calculations, and it was found that the biaxial strains can modulate its properties. The potential of this heterostructure in spintronic devices was demonstrated.

JOURNAL OF PHYSICS D-APPLIED PHYSICS (2023)

Article Multidisciplinary Sciences

Spin selection in atomic-level chiral metal oxide for photocatalysis

Minhua Ai, Lun Pan, Chengxiang Shi, Zhen-Feng Huang, Xiangwen Zhang, Wenbo Mi, Ji-Jun Zou

Summary: The study finds that chiral structure in zinc oxide can induce spin selectivity effect to promote photocatalytic performance. By synthesizing zinc oxide crystals using chiral methionine molecules, hierarchical chirality is demonstrated, and it is shown that the chiral structure acts as spin filters and induces spin polarization in photoinduced carriers. The chiral zinc oxide exhibits significantly higher activities in photocatalytic O-2 production and contaminant photodegradation compared with achiral zinc oxide.

NATURE COMMUNICATIONS (2023)

Article Chemistry, Physical

Spin-splitting and switchable half-metallicity in a van der Waals multiferroic CuBiP2Se6/GdClBr heterojunction

Kai Zhang, Xiaocha Wang, Wenbo Mi

Summary: The ferromagnetic GdClBr monolayer in GdClBr/CuBiP2Se6 transforms from a semiconductor to a half-metal during the reversal of the ferroelectric polarization of CuBiP2Se6. The GdClBr/CuBiP2Se6 heterojunction exhibits perpendicular magnetic anisotropy regardless of the direction of ferroelectric polarization, and shows potential applications in spintronic devices.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2023)

Review Chemistry, Multidisciplinary

Chiral-induced spin selectivity in biomolecules, hybrid organic-inorganic perovskites and inorganic materials: a comprehensive review on recent progress

Yingdan Xu, Wenbo Mi

Summary: This article summarizes the important discoveries and recent experiments performed during the development of the chiral-induced spin selectivity (CISS) effect, which provides a new strategy for manipulating electron's spin and understanding spin selective processes in organisms. Furthermore, it discusses the mechanisms, theoretical calculations, experimental techniques, and biological significance of the CISS effect.

MATERIALS HORIZONS (2023)

Article Chemistry, Physical

Decreased spin-resolved anti-bonding states filling to accelerate CHO conversion into CH2O in transitional metal-doped Mo2C monolayers during CO2 reduction

Liu Guo, Rui Li, Jiawei Jiang, Xueping Fan, Ji-Jun Zou, Wenbo Mi

Summary: CO2 reduction reactions (CO2RRs) are a promising strategy for effective capture and conversion of CO2. In this study, the electronic structure of TM-Mo2C catalysts and their performance in CO2 reduction were investigated. TM doping enhanced CO2 capture and activation abilities, while also promoting the adsorption of CHOH/CH2O. The results provide insights into the relationship between spin up/down anti-bonding states filling and the reaction rate of CHO conversion into CH2O.

JOURNAL OF MATERIALS CHEMISTRY A (2023)

Article Chemistry, Physical

Dirac semimetallic Janus Ni-trihalide monolayer with strain-tunable magnetic anisotropy and electronic properties

Bo Chen, Xiaocha Wang, Wenbo Mi

Summary: This study investigates the electronic and magnetic properties of 2D Janus Ni-trihalide monolayers using first-principle calculations. The research shows that these monolayers have two distinct magnetic ground states and two different orbital splits. By applying biaxial strain, the semimetal state of the monolayers can be tuned to a semiconductor or metallic state, and the easy magnetization direction can also be changed. The design of the Janus Ni2X3Y3 structure expands the range of 2D magnetic materials and contributes to the advancement of spintronics and its applications.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2023)

Article Chemistry, Physical

Magnetic/optical assessments of RFeO3 (R=La, Pr, Nd, and Sm) ceramics: An experimental and theoretical discernment

J. Zamora, T. Bautista, N. S. Portillo-Velez, A. Reyes-Montero, H. Pfeiffer, F. Sanchez-Ochoa, H. A. Lara-Garcia

Summary: Experimental and DFT studies were conducted on the structural, magnetic, and optical properties of RFeO3 perovskites. The perovskites exhibited an orthorhombic crystal structure and weak ferromagnetic behavior. They were confirmed to be semiconductors with a bandgap of approximately 2.1 eV.

JOURNAL OF ALLOYS AND COMPOUNDS (2024)

Article Chemistry, Physical

The effect of Ti-based surface layer on AlSi thin film as a high-performance anode for the lithium-ion battery

Xianxiang Lv, Jing Jin, Weiguang Yang

Summary: By depositing TiN and TiO2 surface layers on AlSi films, the electrochemical performance of silicon-based anodes can be significantly improved, suppressing volume expansion and promoting the formation of a stable SEI layer.

JOURNAL OF ALLOYS AND COMPOUNDS (2024)

Article Chemistry, Physical

Bifunctional phosphate-modulated Cu2O/CeO2 redox heterojunction: A promising approach for proficient CO2 reduction

Sharafat Ali, Haider Ali, Syedul Hasnain Bakhtiar, Sajjad Ali, Muhammad Zahid, Ahmed Ismail, Pir Muhammad Ismail, Amir Zada, Imran Khan, Huahai Shen, Rizwan Ullah, Habib Khan, Mohamed Bououdina, Xiaoqiang Wu, Fazal Raziq, Liang Qiao

Summary: The construction and optimization of redox-heterojunctions using a bifunctional phosphate as an electron-bridge demonstrated significant improvements in photo catalytic activity, including enhanced dispersion, reduced interfacial migration resistance, and increased abundance of active-sites.

JOURNAL OF ALLOYS AND COMPOUNDS (2024)

Article Chemistry, Physical

Engineering heterogeneous synergistic interface and multifunctional cobalt-iron site enabling high-performance oxygen evolution reaction

Ren-Ni Luan, Na Xu, Chao-Ran Li, Zhi-Jie Zhang, Yu-Sheng Zhang, Jun Nan, Shu-Tao Wang, Yong-Ming Chai, Bin Dong

Summary: Extensive research has revealed that oxygen evolution reaction (OER) in alkaline conditions involves dynamic surface restructuring. The development and design of sulfide/oxide pre-catalysts can reasonably adjust the composition and structure after surface reconstruction, which is crucial for OER. This study utilized a simple two-step hydrothermal method to achieve in situ S leaching and doping, inducing the composition change and structure reconstruction of CoFe oxides. The transformed FeOOH and CoOOH exhibited excellent OER activity and could be easily mass-produced using low-cost iron based materials and simple methods.

JOURNAL OF ALLOYS AND COMPOUNDS (2024)

Article Chemistry, Physical

Highly efficiency blue emissive from Bi3+ions in zero-dimensional organic bismuth halide for white LED applications

Jun'an Lai, Daofu Wu, Peng He, Kang An, Yijia Wang, Peng Feng, WeiWei Chen, Zixian Wang, Linfeng Guo, Xiaosheng Tang

Summary: Zero-dimensional organic-inorganic metal halides (OMHs) are gaining attention in the fabrication of light-emitting diodes due to their broad emission band and high photoluminescence quantum yield. This work synthesized a zero-dimensional organic tetraphenylphosphonium bismuth chloride (TBC) that showed efficient blue light emission, with the emission mechanism attributed to the transition of Bi3+ ions. White light-emitting diodes (WLEDs) were fabricated using TBC, along with green-emitting and red-emitting single crystals, achieving single-component white emissions. These findings demonstrate the different emission mechanism of ns2 ions-based OMHs and highlight the potential of bismuth-based OMHs in WLEDs applications.

JOURNAL OF ALLOYS AND COMPOUNDS (2024)

Article Chemistry, Physical

Study on the wear resistance and mechanism of AlCrCuFe2NiTix high-entropy surfacing alloys

Xuewei Liang, Yunhai Su, Taisen Yang, Zhiyong Dai, Yingdi Wang, Xingping Yong

Summary: The revolutionary design concept of high-entropy alloys has brought new opportunities and challenges to the development of advanced metal materials. In this work, AlCrCuFe2NiTix high-entropy flux cored wires were prepared by combining the design idea of a high-entropy alloy with the characteristics of flux cored wire. AlCr-CuFe2NiTix high-entropy surfacing alloys were prepared using gas metal arc welding technology. The wear properties of the alloys were analyzed, and the phase composition, microstructure, strengthening mechanism, and wear mechanism were discussed. The results show that the alloys exhibit a dendritic microstructure with BCC/B2 + FCC phases. Increasing Ti content leads to the precipitation of Laves phase. The alloys show improved microhardness and wear resistance due to the precipitation of coherent B2 and Laves phases. However, excessive Ti addition results in the increase of Laves phase and reduced wear resistance of the alloys.

JOURNAL OF ALLOYS AND COMPOUNDS (2024)

Article Chemistry, Physical

Facile synthesis of ternary g-C3N4/polyacrylic acid/CoFe2O4 nanocomposites for solar light irradiated photocatalytic and supercapacitor applications

M. Vadivel, M. Senthil Pandian, P. Ramasamy, Qiang Jing, Bo Liu

Summary: This work presents the enhanced photocatalytic and electrochemical performance of g-C3N4 assisted PAA on CoFe2O4 ternary nanocomposites. The incorporation of PAA and g-C3N4 improves the separation efficiency of photogenerated charge carriers, resulting in superior photocatalytic degradation and high specific capacitance values.

JOURNAL OF ALLOYS AND COMPOUNDS (2024)

Article Chemistry, Physical

Investigation on bio-synthesized Ni- and Al-doped cobalt ferrite using lemon juice as eco-fuel

Vibhu T. Sivanandan, Ramany Revathy, Arun S. Prasad

Summary: In this study, pure and doped cobalt ferrite nanoparticles were prepared using the sol-gel auto-combustion method with the aid of lemon juice as eco-fuel. The crystal structure, lattice parameter, crystallite size, microstrain, optical parameters, and room temperature magnetic properties of the samples were analyzed. The effect of doping on the magnetic properties was also investigated.

JOURNAL OF ALLOYS AND COMPOUNDS (2024)

Article Chemistry, Physical

Cu, Ni and Ag ions assisted preparation of nonpolar preferential oriented ZnO films with controlled morphology and optical properties

Qing Guo, Bowen Zhang, Benzhe Sun, Yang Qi

Summary: This study prepared ZnO films with various nonpolar preferred orientations using conventional chemical bath deposition method and characterized their growth process and mechanism. It was found that the type and concentration of nitrate could control the preferred orientation and surface roughness of ZnO films. Additionally, ZnO films with different preferred orientations exhibited different optical properties.

JOURNAL OF ALLOYS AND COMPOUNDS (2024)

Article Chemistry, Physical

Characterization of magnetic FeCo particles with controlled bimetallic composition

Chong Zhang, Yan Liu, Zhaoyan Wang, Hang Yang

Summary: In this study, six bimetallic FeCo particles were synthesized via the hydrothermal method at different Fe:Co ratios. The Fe:Co ratio not only modulates the composition of the particles but also influences their structure and magnetic properties. The FeCo alloys showed a transformation from an Fe-based structure to a Co-based structure with increasing Co content. The Fe:Co ratio of 1:1 and 3:1 resulted in particles with the highest and lowest saturation magnetization, respectively.

JOURNAL OF ALLOYS AND COMPOUNDS (2024)

Article Chemistry, Physical

Micro-alloying effects of Ta and B on nano-oxides and grain boundaries in 13CrWTi-ODS ferritic alloys

Jianning Zhang, Jing Li, Yiren Wang, Xiaodong Mao, Yong Jiang

Summary: We conducted a study on the formation of ultra-fine Y-Ti-Ta-O nano-oxides in Ta+B micro-alloyed 13CrWTi-ODS alloys using electron microscopy and first-principles calculations. The Y-Ti-Ta-O nano-oxides were found to be mainly Y2(Ti,Ta)2O7, with an average size of 7 nm and a number density of 6.8 x 1023 m-3. Excess boron was found to enhance the adhesion of some low-sigma grain boundaries but weaken the Fe/Y2Ti2O7 interface, while excess tantalum enhanced the Fe/Y2Ti2O7 interface but caused serious degradation of grain boundaries.

JOURNAL OF ALLOYS AND COMPOUNDS (2024)

Article Chemistry, Physical

Nitrogen-doped reduced graphene oxide/black phosphorus quantum dot composites for electrocatalytic treatment of choroidal melanoma

Yirong Fang, Pei Cheng, Hang Yuan, Hao Zhao, Lishu Zhang

Summary: A new composite system of nitrogen-doped reduced graphene oxide and black phosphorus quantum dots has been developed for tumor therapy, showing improved electrochemical properties and stability. The system generates hydrogen peroxide and hydroxyl radical to effectively kill tumor cells.

JOURNAL OF ALLOYS AND COMPOUNDS (2024)

Article Chemistry, Physical

Significantly enhanced magnetism in cobalt ferrite by manganese and terbium co-doping

Xiufang Qin, Yuanli Ma, Hui Zhang, Ting Zhang, Fang Wang, Xiaohong Xu

Summary: The structure and magnetism of cobalt ferrites after Mn2+-Tb3+ co-doping were studied. Co-doped samples exhibited cubic spinel structure and spherical shape of ferrite nanoparticles. The redistribution of Co2+ and Fe3+ ions between octahedral and tetrahedral sites was observed due to Mn2+-Tb3+ co-doping. The coercivity and magnetization saturation of co-doped samples were significantly improved, leading to a maximum energy product that is 190% higher than that of the un-doped sample.

JOURNAL OF ALLOYS AND COMPOUNDS (2024)

Article Chemistry, Physical

High-performance low-temperature solid oxide fuel cell with nanostructured lanthanum strontium cobaltite/yttria-stabilized zirconia cathode via advanced co-sputtering

Ho Yeon Lee, Wonjong Yu, Yoon Ho Lee

Summary: Recently, there has been an increasing interest in developing ultra-fine nanostructured electrodes with extensive reaction areas to enhance the performance and low-temperature operation of solid oxide fuel cells. The use of a refined approach involving co-sputtering metal alloys and oxide targets has demonstrated the feasibility of nano-columnar structures in perovskite-based electrodes, expanding the temperature range of thin film electrodes. This study systematically examines the effects of chamber pressure control in the co-sputtering process and identifies the intricate relationship between sputtering pressure and film structure. By fine-tuning the columnar growth in the electrode, significant improvements in performance and thermo-mechanical properties were achieved, resulting in high-performance all-sputtered solid oxide fuel cells.

JOURNAL OF ALLOYS AND COMPOUNDS (2024)

Article Chemistry, Physical

Amorphous quaternary alloy nanoplates for efficient catalysis of hydrogen evolution reaction

Qianyun Bai, Xiaoxiao Yan, Da Liu, Kang Xiang, Xin Tu, Yanhui Guo, Renbing Wu

Summary: This study proposes a simple method to develop a non-precious transition metal-based electrocatalyst with high catalytic activity and robustness for the hydrogen evolution reaction. The as-synthesized electrode exhibits a low overpotential and high current density, indicating its potential in energy conversion.

JOURNAL OF ALLOYS AND COMPOUNDS (2024)