Bipolar Materials Research Articles

High-Performance Gate-Voltage-Tunable Photodiodes Based on Nb2Pd3Se8/WSe2 Mixed-Dimensional Heterojunctions.

The mixed-dimensional (MD) van der Waals (vdWs) heterojunction for photodetectors has garnered significant attention owing to its exceptional compatibility and superior quality. Low-dimensional material heterojunctions exhibit unique photoelectric properties attributed to their nanoscale thickness and vdWs contact surfaces. In this work, a novel MD vdWs heterojunction composed of one-dimensional (1D) Nb2Pd3Se8 nanowires and two-dimensional (2D) WSe2 nanosheets is proposed. The heterojunction's energy band engineering is accomplished by manipulating the Fermi level of the bipolar 2D material via gate voltage, resulting in a rectification characteristic that can be adjusted with gate voltage. Under 685 nm laser irradiation, it demonstrates exceptional self-powered photodetection performance, attaining a photoresponsivity of 1.45 A W-1, an ultrahigh detectivity of 6.8 × 1012 Jones, and an ultrafast response time of 37/64 μs at zero bias. In addition, a broadband photodetector from 255 to 1064 nm is realized. These results demonstrate the great potential of Nb2Pd3Se8/WSe2 MD heterostructures for advanced electronic and optoelectronic devices.

Design and Synthesis of D‐A Polymer as Cathode Material for Na‐Based Dual‐Ion Batteries with Excellent Cycling Performance

AbstractOrganic bipolar electrodes can undergo both n‐type and p‐type reactions for energy storage due to numerous active sites, which can usually deliver a high theoretical specific capacity. Herein, a new bipolar polymer cathode material PQPZ is designed and synthesized. The electron‐donating phenazine group undergoes a two‐electron redox reaction which can store anions, the electron‐withdrawing phenanthraquinone can store sodium‐ions through a two‐electron redox reaction. Notably, as a bipolar cathode material for sodium‐ion batteries, PQPZ exhibits a reversible specific capacity of up to 270 mAh g−1 in the voltage range of 1.0–4.0 V (vs. Na+/Na) and achieves a high energy density of 696 Wh kg−1 in a half‐cell. A capacity retention rate of 90% is obtained after 300 cycles at a current density of 0.5C. More excitingly, even after being cycled for 10000 cycles at 10C, the PQPZ electrode shows an average decay rate as low as 0.0036% per cycle, manifesting a very stable cycling performance. In addition, PQPZ also shows excellent performances when tested at −10 °C, making it promising in practical applications. Considering the bipolar character of PQPZ, symmetric batteries are also successfully constructed, fulfilling the “ready‐to‐charge” property without a pre‐activation process. The results reveal the potential application of PQPZ in practical use.

Insight into Anionic Discrepancies in Bipolar Poly(Thionine) Organic Cathodes for Aqueous Zinc Ion Batteries.

Electroactive organic electrode materials exhibit remarkable potential in aqueous zinc ion batteries (AZIBs) due to their abundant availability, customizable structures, sustainability, and high reversibility. However, the research on AZIBs has predominantly concentrated on unraveling the storage mechanism of zinc cations, often neglecting the significance of anions in this regard. Herein, bipolar poly(thionine) is synthesized by a simple and efficient polymerization reaction, and the kinetics of different anions are investigated using poly(thionine) as the cathode of AZIBs. Notably, poly(thionine) is a bipolar organic polymer electrode material and exhibits enhanced stability in aqueous solutions compared to thionine monomers. Kinetic analysis reveals that ClO4 - exhibits the fastest kinetics among SO4 2-, Cl-, and OTF-, demonstrating excellent rate performance (109 mAh g-1 @ 0.5 A g-1 and 92 mAh g-1 @ 20 A g-1). Mechanism studies reveal that the poly(thionine) cathode facilitates the co-storage of both anions and cations in Zn(ClO4)2. Furthermore, the lower electrostatic potential of ClO4 - influences the strength of hydrogen bonding with water molecules, thereby enhancing the overall kinetics in aqueous electrolytes. This work provides an effective strategy for synthesizing high-quality organic materials and offers new insights into the kinetic behavior of anions in AZIBs.

Substituent Controlled Tunable Fluorescence from Green to Red and pH Stimuli‐Induced Reversible Fluorescence Switching in Triphenylamine–Quinoxaline Derivatives

A series of triphenylamine‐quinoxaline donor‐acceptor (bipolar) compounds (TPA‐QH, TPA‐QMe, TPA‐QCOOH and TPA‐QNO2) with different substituents were synthesized and investigated their fluorescence properties, including stimuli‐induced fluorescence responses in solution and the solid‐state. Single crystal structural analysis revealed non‐planar molecular conformation, substituent controlled intermolecular interactions and molecular packing in the crystal lattice. TPA‐QH, TPA‐QMe, TPA‐QCOOH and TPA‐QNO2 showed tunable solid‐state emission from green to red. TPA‐QH showed strong fluorescence at 487 nm (quantum yield (Φf) = 28.3%) whereas NO2 substituted TPA‐QNO2 exhibited relatively weak fluorescence at 610 nm (Φf = 4.3%). Density functional theoretical (DFT) calculations also indicated reduction of optical bandgap with substituting electron withdrawing group. The donor‐acceptor structure with intramolecular charge transfer (ICT) resulted solvent polarity dependent fluorescence tuning. The presence of acid responsive quinoxaline group was utilized to demonstrate pH‐responsive fluorescence switching and dual state fluorescence was utilized for fabricating rewritable fluorescent platform. Thus, the present study provides a structural insight to develop dual state emissive triphenylamine–quinoxaline based bipolar materials for optoelectronic applications.

Two novel bipolar materials based on 9,9-dimethylfluorene bridges for non-doped blue and red phosphorescent OLED applications

The present study delineates the design and synthesis of two bipolar host materials, namely 4-(7-(9-([1,1′-biphenyl]-4-yl)-9H-carbazol-3-yl)-9,9-dimethyl-9H-fluoren-2-yl)benzonitrile (o-CzDFBN) and 4-(7-(9-([1,1′-biphenyl]-3-yl)-9H-carbazol-3-yl)-9,9-dimethyl-9H-fluoren-2-yl)benzonitrile (p-CzDFBN). By incorporating 9,9-dimethylfluorene as a π conjugated bridge, the fluorescence quantum yield, carrier mobility and balance can be improved. Both host materials have excellent thermal stability, with thermal decomposition temperature (Td) of exceeding 390 °C and glass transition temperature (Tg) of exceeding 125 °C. Electroluminescent devices using p-CzDFBN as the host material show better performance than those based on o-CzDFBN. The maximum external quantum efficiencyof red PhOLED reaches 27.17%. The non-doped blue OLED achieves a EQEmax of 6.38%, a maximum luminance (Lmax) of 20150 cd/m2, a maximum current efficiency of 4.81 cd/A, and a maximum power efficiency of 5.40 lm/W. This research contributes to the development of new materials for OLEDs, potentially leading to more efficient, stable, and high-performing OLEDs.

Theoretical investigation of the electronic and second-order non-linear optical properties of [n]helicene derivatives

Designing and synthesizing nonlinear optical materials with excellent performance has always been a persistent goal pursued by material chemists. In paper, based on the reported [6]heliceno-bis(naphthalimides) 2, four new molecules are designed by introducing 2-dicyanomethylene-1,3-dithiole on the two middle benzene rings of the naphthalimide unit and replacing CH3 units on the R1 and R2 substituents with NH2/NO2 moieties, or their combination. The electronic spectra, reorganization energy and second-order nonlinear optical properties of the reported derivatives 1 and 2, as well as four newly designed derivatives, have been systematically investigated by means of (time-dependent) density functional theory calculations. Frontier molecular orbital analysis, electron excitation analysis, reorganization energy, and the calculation of the static and dynamic first hyperpolarizability all indicate that the studied system is greatly influenced by the number of benzene rings in helicene core and the terminal substituents attached at both ends of helicene core. Further analysis of depolarization, hyperpolarizability density and unit sphere representation reveals the nature of the nonlinear optical response of the studied system. Considering that the studied derivatives all have large static first hyperpolarizabilities (e.g., 210 × 10-30 esu for derivative 5) and small reorganization energy (e.g., 0.092 eV of hole reorganization energy and 0.118 eV of electron reorganization energy for derivative 3), they are expected to become potential nonlinear optical materials with excellent performance and bipolar transport materials. This work contributes to the rational design of high-performance molecules based on [n]helicenes derivatives and further explores their potential applications in optical materials.

Blue aggregation-induced emission bipolar materials consisting of diphenylsulfone or benzophenone core and triphenylethene-carbazole fragments for highly efficient OLEDs

Bipolar derivatives having aggregation-induced emission (AIE) properties were synthesized in reactions of 4,4′-difluorobenzophenone, 4-fluorophenyl-phenylsulfone or bis(4-fluorophenyl)sulfone with prepared key starting materials: 1,1,2-triphenyl-2-(9H-carbazol-2-yl)ethylene or 1-(9H-carbazol-2-yl)-4-(1,2,2-triphenylethenyl)benzene. The objective materials have shown high thermal stabilities and can form amorphous layers having high glass transition temperatures in the region of 110–173 °C. The photoluminescence spectra of the prepared derivatives registered using tetrahydrofuran-water solutions demonstrated strong blue emissions, confirming their AIE property. Thin films of the compounds were tested in multilayer organic light-emitting diodes. The device using bis(4-{2-[4-(1,1,2-triphenylethylenyl)phenyl]carbazol-9-yl}phenyl)sulfone emitter (EM3) outperformed the other devices, achieving a peak efficiencies of 3.4 % (5.6 cd/A and 4.7 lm/W) with maximum luminance of about 11000 cd/m2. However OLED using 4-{2-[4-(1,1,2-triphenylethylenyl)phenyl]carbazol-9-yl}phenyl-phenylsulfone (EM2) as emitter demonstrated higher efficiency at higher luminance values. The maximum efficiencies of the device were obtained at a luminance value of about 100 cd/m2 and were recorded as 3.2 % (5.2 cd/A and 4.1 lm/W) with luminance of 17515 cd/m2.

Synthesis and Electrical Properties of a New Bipolar Material Using Spacer Moiety

To develop a deep-blue emitter, a molecule with bipolar characteristics was designed as a donor-spacer-acceptor type, in which 9-(4-(4,6-diphenyl-1),3,5-triazin-2-yl)-2,5-dimethylphenyl)-9H-carbazole (DTPCZ)—with carbazole as an electron donating group and a diphenyl triazine moiety as an electron accepting group—was successfully synthesized. The photoluminescence (PL) maxima of DTPCZ were 421 nm in the solution state and 425 nm in the film state, indicating emission in the deep-blue region. DTPCZ also exhibited high thermal stability, with a degradation temperature of 349 °C. To confirm the electroluminescence (EL) characteristics, DTPCZ was applied as a dopant at 10, 20, and 30 wt% in a blue-fluorescent organic light-emitting diode (OLED) device. The highest efficiency was achieved using the 20 wt% doped device, with a current efficiency of 1.2 cd/A, an external quantum efficiency of 2.3%, and a Commission Internationale de l’Eclairage proceedings y-value of 0.06. Thus, deep-blue emission could be realized in the film state. These molecular design strategies can be applied to various fields, such as organic semiconductors.

A highly-sensitive wearable capacitance pressure sensor based on calcium copper titanate/polydimethysiloxane/graphene oxide and polydimethysiloxane/silver nanowires sanwich strustures combination for human body monitoring

In recent years, flexible pressure sensors, with their high sensitivity, low detection limit, wide working pressure range and fast response speed, have been playing an important role in the development of wearable artificial devices, human-computer interaction and healthcare systems, and have attracted wide attention. However, the pressure sensors face challenges related to the weak tightness of bipolar materials, low charge density, and limitation in dielectric layers. In this paper, we present a novel configuration of flexible capacitive pressure sensors, utilizing a polydimethysiloxane (PDMS) thin film covered by silver nanowires (PDMS/SN, PSN) as the electrode materials and a porous material composed of calcium copper titanate (@CCTO), PDMS and graphene oxide (GO)(@CCTO/PDMS/GO, @CPG) as the positive electrode material. The sacrificial material, sugar, is employed to create dense internal pores within the substrate material, @CPG, leading to the formation of a profoundly porous substrate. The integration of the flexible capacitive pressure sensor using @CPG/PSN results in enhanced output performance. The modified sensors achieves a sensitivity of 0.22 kPa−1, which is 7 times higher than that of a pure PDMS dielectric layer sensor. Moreover, the sensors has a response time of 87 ms, a low detection pressure of 5 Pa with an extensive detection range from 0 to 150 kPa, and are capable of enduring 7200 cycles without sustaining damage. To validate the practical performance of the @CPG/PSN sensor, various human body activities are detected, including swallowing, coughing, neck bending, wrist bending, elbow bending, finger flexing, and holding objects like cups using a digitally designed glove capable of accommodating different materials. The pressure sensor based on @CPG/PSN demonstrates significant promise in detecting both low and high pressures, thus expanding the potential applications of capacitive pressure sensors.

Computational study on ferroelectric control over spin polarization in the bipolar magnetic semiconductor

Multiferroic van der Waals (vdW) heterostructures offer an exciting route toward the nanoelectronics and spintronics device technology. How to realize the mutual regulation between ferroelectric and magnetic materials has attracted extensive research. In this work, based on the density functional theory, we simulate a vdW multiferroic heterostructure based on the bipolar magnetic semiconductor material graphone and ferroelectric monolayer In2Te3 and further investigate its electronic properties. We find that direct contact between In2Te3 and graphone induces a transition in graphone from a ferromagnetic state to a non-magnetic state. Fortunately, the magnetic properties of graphone are preserved by using graphene as an intercalation layer, and the graphone monolayer changes from its original semiconductor to a half-metal in the graphone/graphene/In2Te3 vdW heterostructure for P↓ state. Furthermore, by adjusting the layer spacing of the heterostructure, the spin polarization states of graphone at the Fermi level (EF) are regulated between spin-up (S↑) and spin-down (S↓) with the reversal of ferroelectric polarization states. Our results not only provide a promising way to realize the half-metallicity in 2D magnetic materials but also computationally predict the ferroelectric control of the spin polarization state, which has great application potential in the next-generation nonvolatile electrically controlled spintronic devices.

ОСОБЛИВОСТІ АНІЗОТРОПНОГО БІПОЛЯРНОГО ТЕРМОЕЛЕМЕНТА

Modern information communication networks include monitoring subsystems. The operation of monitoring subsystems is based on the operation of various sensors. Among the sensors used in the monitoring subsystems, thermoelectric sensors occupy an insignificant share. In order for thermoelectric sensors to become more widespread, it is necessary to solve the problem of a small value of thermoelectric efficiency. It is proposed to solve this problem by switching to sensors based on anisotropic bipolar thermoelement. In the presented work, the influence of thermoelectric vortices with turbulent flow on the sensitivity of sensors based on anisotropic bipolar thermoelements was studied. The dependence of the value of the transverse thermal-EMF of this structure on the anisotropy coefficient K of the anisotropic bipolar thermoelectric material was determined. Corresponding singular points and limits of their existence are revealed. The dependence of the directions of rotation of vortices with a turbulent nature of the flow on the direction of approach to these points was established. The temperature sensitivity of the sensor based on an anisotropic bipolar thermoelement made of single crystals of cadmium antimonide with both unipolar and bipolar characteristics was evaluated. Research results show a significant increase in the temperature sensitivity of such sensors based on anisotropic bipolar thermoelements, which can be used as thermal sensors for monitoring individual elements of the information communication system. Such thermoelements will have an improved coefficient of temperature dependence of volt-watt sensitivity compared to anisotropic unipolar thermoelements. The conducted numerical calculations show the prospects of using anisotropic bipolar thermoelements as sensors for monitoring modern information and communication systems for collecting information, both about the system itself and the environment.

Dynamically Ion-Coordinated Bipolar Organodichalcogenide Cathodes Enabling High-Energy and Durable Aqueous Zn Batteries.

Bipolar organic cathode materials (OCMs) implementing cation/anion storage mechanisms are promising for high-energy aqueous Zn batteries (AZBs). However, conventional organic functional group active sites in OCMs usually fail to sufficiently unlock the high-voltage/capacity merits. Herein, we initially report dynamically ion-coordinated bipolar OCMs as cathodes with chalcogen active sites to solve this issue. Unlike conventional organic functional groups, chalcogens bonded with conjugated group undergo multielectron-involved positive-valence oxidation and negative-valence reduction, affording higher redox potentials and reversible capacities. With phenyl diselenide (PhSe-SePh, PDSe) as a proof of concept, it exhibits a conversion pathway from (PhSe)- to (PhSe-SePh)0 and then to (PhSe)+ as unveiled by characterization and theoretical simulation, where the diselenide bonds are periodically broken and healed, dynamically coordinating with ions (Zn2+ and OTF-). When confined into ordered mesoporous carbon (CMK-3), the dissolution of PDSe intermediates is greatly inhibited to obtain an ultralong lifespan without voltage/capacity compromise. The PDSe/CMK-3 || Zn batteries display high reversibility capacity (621.4 mAh gPDSe -1), distinct discharge plateau (up to 1.4 V), high energy density (578.3 Wh kgPDSe -1), and ultralong lifespan (12 000 cycles) at 10 A g-1, far outperforming conventional bipolar OCMs. This work sheds new light on conversion-type active site engineering for high-voltage/capacity bipolar OCMs towards high-energy AZBs.

Ferrocene Appended Porphyrin-Based Bipolar Electrode Material for High-Performance Energy Storage.

The versatile properties of bipolar organic electrode materials have attracted considerable attention in the field of electrochemical energy storage (EES). However, their practical application is hindered by their inherent limitations including low intrinsic electrical conductivity, low specific capacity, and high solubility. Herein, a bipolar organic molecule combining both porphyrin and ferrocene moieties (CuDEFcP) [5,15-bis(ethynyl)-10,20-di ferrocenyl porphinato]copper(II)) has been developed. It is proposed as a new organic electrode material with multifunctional application for rechargeable organic lithium-based batteries (ROLBs) and dual-ion organic symmetric batteries (SDIBs). Superior performance was delivered as cathode material in lithium based dual-ion batteries (LDIBs), with a high initial discharge capacity of 300 mAh. g-1 at 0.2 A. g-1 and a reversible capacity of 58 mAh. g-1 after 5000 cycles at 1 A. g-1. However, employing it as an anode material in lithium-ion batteries (LIBs), a reversible capacity of 295 mAh. g-1 at 0.2 A. g-1 was delivered. In SDIBs, in which CuDEFcP is used as both anode and cathode, an average discharge voltage of 2.4 V and an energy density of 261 Wh.kg-1 were achieved.

Design and Synthesis of Viologen-based Copolymers for High Performance Li-Dual-Ion Batteries.

Dual-ion batteries based on organic electrodes show great potential to break through the bottlenecks existed in conventional LIBs due to their high specific capacity, lifted working voltage, and environmental benignity. Herein, two innovative viologen-based bipolar copolymers poly(viologen-pyrene-4,5,9,10-tetrone dichloride) (PVPTOCl2 ) and poly(viologen-anthraquinone dichloride) (PVAQCl2 ) were synthesized and applied as high performance cathodes for lithium-dual-ion battery. Bearing the dual-ion storage capability of viologen and carbonyls, as well as the conjugated structure of pyrene-4,5,9,10-tetrone, the synthesized copolymers show remarkable electrochemical performances for LIBs. Compared to PVAQCl2 , PVPTOCl2 shows superior electrochemical performance with high initial specific capacity (235.0 mAh g-1 at 200 mA g-1 ), high reversibility (coulombic efficiency up to 99.96 % at 1 A g-1 ), excellent rate performance (150.3 mAh g-1 at 5 A g-1 ) and outstanding cycling stability (a reversible capacity of 197.5 mAh g-1 at a current density of 1 A g-1 and a low capacity loss per cycle of 0.11‰ during 3000 cycles). Moreover, the charge storage mechanism was systematically investigated by ex-situ FT-IR, ex-situ XPS and DFT calculations. The results clearly reveal the structure-property relationship of the bipolar-molecules, providing a new platform to develop efficient bipolar materials for dual-ion batteries.

A Dual‐Mode Programing Nonvolatile Floating‐Gate Memory with Convertible Ohmic and Schottky Contacts

AbstractResearch on van der Waals heterostructures based on stacked two‐dimensional atomic thickness crystals has received considerable attention because of their unique characters and great potential applications in flexible transparent electronics and optoelectronics. In this study, a nonvolatile memory device with a few‐layer bipolar material WS2 as channel and charge‐trapping layers is designed with a floating‐gate structure in which charges (electrons and holes) can be stored in the charge‐trapping layer using a dual‐mode processing program by changing the metal–semiconductor contact type. The device exhibits different programming currents during programming, in particular, the device has a low programming current for programming voltages ˂20 V. Moreover, the heterostructure exhibits a remarkable long retention time (≈10,000 s), with no apparent degradation and a strong endurance, retaining its original performance even after 1,000 programming/erasing cycles. This study proposes a novel method for reducing power consumption while programming to facilitate artificial synapse applications.

4]Helicenium Ion as Bipolar Redox Material for Symmetrical Fully Organic Pole‐less Redox Flow Battery

AbstractLong duration storage batteries such as Redox Flow Batteries (RFBs) are promising storage system to address the energy storage requirement that our society will require in the years to come. Recent effort has been focused on the development of metal free and high energy density system such as all‐organic non‐aqueous redox flow batteries (NAORFBs). However high‐voltage NAORFBs currently use distinct anolytes and catholytes, which are separated by a membrane sensitive to osmotic pressure, resulting in rapid capacity and energy density degradation over time. To address this issue, symmetric organic redox flow batteries (SORFBs) have been proposed as an elegant solution. We have introduced dimethoxyquinacridiniums (DMQA+) ions as efficient bipolar redox molecules (BRMs) in static H‐cell conditions. In this study, we present the first application of DMQA+ ions in a complete flow RFB prototype, showcasing their ability to operate with polarity reversal. Key kinetic properties were evaluated through cyclic voltammetry and DFT calculations. While coulombic and energy efficiency metrics were moderate, pegylated DMQA+ demonstrated impressive capacity retention of over 99.99 % and the capability to operate under polarity inversion, making it a highly attractive choice for grid‐scale, long‐lifespan energy storage applications.

Rational Design of Bipolar Host and Thermally Activated Delayed Fluorescence Materials in Donor-Acceptor Molecular Architecture: A Theoretical Study.

Donor-acceptor (D-A) molecules have drawn massive attention recently in the design of high-performance materials, but the underlying reasons for the magic abilities of D-A architecture in building very different organic semiconductors are still unclear. Here, based on a series of experimentally bipolar host and thermally activated delayed fluorescence (TADF) molecules with the same donor but different acceptor units, it was found that TADF emitters have more effective charge transfer between donor and acceptor units than bipolar host molecules. More efficient conjugation effects between the donor and acceptor units of host materials were identified from the lower dihedral angles of the D-A structure, smaller and even negative charge transfer amount, shorter charge-transfer length, and larger hole-electron overlap extent. These findings with in-depth insights into different interaction models of donor and acceptor units shed important light on the molecular design of TADF emitters and bipolar materials in a D-A architecture.

Fabrication of a novel Z-S-scheme photocatalytic fuel cell with the Z-scheme TiO2/GO/g-C3N4 photoanode and S-scheme BiOAc1−xBrx/BiOBr photocathode for TC degradation

The upsurge of interest in the emergence of photocatalytic fuel cell systems (PFC) presents an efficient and environmentally friendly approach to wastewater treatment. In this work, a Z-scheme coupled with an S-scheme heterojunction electrode was used in the PFC, utilizing TiO2/GO/g-C3N4 as the photoanode and BiOAc1–xBrx/BiOBr as the photocathode. We systematically align the band structures between the anode and cathode, which facilitates the electron transfer between the electrodes. Our attempt successfully demonstrates that collaborative power generation facilitates the high efficiency of tetracycline hydrochloride (TC) degradation at both electrodes. The photoanode achieved a 94.87 % degradation rate for TC, while the photocathode exhibited a 96.33 % degradation rate after 2 h, surpassing pristine BiOBr and BiOAc by factors of ∼5.3 and ∼3.8, respectively. Furthermore, this work proposed a mechanism for electron generation, transport, and pollutant degradation mechanism in the PFC. Intermediate substances generated during the degradation of TC were analyzed through high-performance liquid chromatography-mass spectrometry (HPLC-MS) and ultraviolet photoelectron spectroscopy (UPS), while the optimal degradation pathway was confirmed using density functional theory (DFT). The findings of this work establish the feasibility of efficiently degrading pollutants through PFC treatment, introducing a novel system where various heterojunctions in bipolar materials collaborate with photocatalysis to effectively generate electricity and enhance pollutant removal.

A bipolar polymer cathode for sodium-ion batteries.

A bipolar polymer cathode material, containing redox-active azo benzene and diamine moieties, was synthesized for sodium-ion batteries. The n-type azo group and p-type amine group enable a wide cutoff window with an initial capacity of 93 mA h g-1 at 50 mA g-1 and a high voltage plateau at ∼3.3 V.

Theoretical prediction of C- and O-doped Hittorf’s violet phosphorene as bipolar magnetic semiconductor material

Hittorf’s violet phosphorene is a novel two-dimensional material with stable structure and excellent optoelectronic properties. Studying the doping effect helps to understand its physical essence and is of great significance in further developing nanoelectronic devices. In this paper, the first-principles method based on density functional theory is used to study the electromagnetic properties of the non-metallic element B-, C-, N-, and O-doped single-layer violet phosphene. The results show that there is no magnetism after having doped boron and nitrogen, and the system still behaves as a nonmagnetic semiconductor, while carbon doping and oxygen doping cause spin splitting, and the violet phosphorene transforms from a nonmagnetic semiconductor to a bipolar magnetic semiconductor, and its spin density is mainly distributed in the P atom and gap region, rather than on the impurity. The direction of spin polarization of its carrier can be reversed by adjusting the electric field of O-doped violet phosphorene. When a certain size of forward or reverse electrostatic field is applied, the band dispersion becomes stronger, and the O-doped violet phosphorene transforms into a half-metallic magnet with 100% downward or upward spin polarization at the Fermi level. The field effect spin filter based on O-doped violet phosphorene can reverse the direction of spin-polarized current by changing the direction of the gate voltage. This study shows that O-doped violet phosphorene is expected to be an ideal candidate material for two-dimensional spin field-effect transistors, bipolar magnetic spintronic devices, dual channel field effect spin filters, and field-effect spin valves.