Effective Qubit Emerging from the Nanoheterointerface Two-Dimensional Electron Gas Photodynamics

An “Eigenstate Adjustment Autonomy” Model, permeated by the Nanosystem’s Fermi Level Pinning along with its rigid Conduction Band Discontinuity, compatible with pertinent Experimental Measurements, is being employed for studying how the Functional Eigenstate of the Two-Dimensional Electron Gas (2DEG) dwelling within the Quantum Well of a typical Semiconductor Nanoheterointerface evolves versus (cryptographically) selectable consecutive Cumulative Photon Dose values. Thus, it is ultimately discussed that the experimentally observed (after a Critical Cumulative Photon Dose) Phenomenon of 2DEG Negative Differential Mobility allows for the Nanosystem to exhibit an Effective Qubit Specific Functionality potentially conducive to (Telecommunication) Quantum Information Registering.

Electronic modulation of two-dimensional bismuth-based nanosheets for electrocatalytic CO_(2) reduction to formate: A review

Electrocatalytic CO_(2) reduction reaction(eCO_(2) RR)has significant relevance to settle the global energy crisis and abnormal climate problem via mitigating the excess emission of waste CO_(2) and producing high-value-added chemicals.Currently,eCO_(2) RR to formic acid or formate is one of the most technologically and economically viable approaches to realize high-efficiency CO_(2) utilization,and the development of efficient electrocatalysts is very urgent to achieve efficient and stable catalytic performance.In this review,the recent advances for two-dimensional bismuth-based nanosheets(2D Bi-based NSs)electrocatalysts are concluded from both theoretical and experimental perspectives.Firstly,the preparation strategies of 2D Bi-based NSs in aspects to precisely control the thickness and uniformity are summarized.In addition,the electronic regulation strategies of 2D Bi-based NSs are highlighted to gain insight into the effects of the structure-property relationship on facilitating CO_(2) activation,improving product selectivity,and optimizing carrier transport dynamics.Finally,the considerable challenges and opportunities of 2D Bi-based NSs are discussed to lighten new directions for future research of eCO_(2) RR.

Effect of strain on structure and electronic properties of monolayer C_(4)N_(4)

The first-principles calculations are performed to examine structural,mechanical,and electronic properties at large strain for a monolayer C_(4)N_(4),which has been predicted as an anchoring promising material to attenuate shuttle effect in Li–S batteries stemming from its large absorption energy and low diffusion energy barrier.Our results show that the ideal strengths of C_(4)N_(4)under tension and pure shear deformation conditions reach 13.9 GPa and 12.5 GPa when the strains are 0.07 and 0.28,respectively.The folded five-membered rings and diverse bonding modes between carbon and nitrogen atoms enhance the ability to resist plastic deformation of C_(4)N_(4).The orderly bond-rearranging behaviors under the weak tensile loading path along the[100]direction cause the impressive semiconductor–metal transition and inverse semiconductor–metal transition.The present results enrich the knowledge of the structure and electronic properties of C_(4)N_(4)under deformations and shed light on exploring other two-dimensional materials under diverse loading conditions.

First‑principles study on electronic structure,optical and magnetic properties of rare earth elements X(X=Sc,Y,La,Ce,Eu)doped with two‑dimensional GaSe

The electronic structure,magnetic,and optical properties of two-dimensional(2D)GaSe doped with rare earth elements X(X=Sc,Y,La,Ce,Eu)were calculated using the first-principles plane wave method based on den-sity functional theory.The results show that intrinsic 2D GaSe is a p-type nonmagnetic semiconductor with an indi-rect bandgap of 2.6611 eV.The spin-up and spin-down channels of Sc-,Y-,and La-doped 2D GaSe are symmetric,they are non-magnetic semiconductors.The magnetic moments of Ce-and Eu-doped 2D GaSe are 0.908μ_(B)and 7.163μ_(B),which are magnetic semiconductors.Impurity energy levels appear in both spin-up and spin-down chan-nels of Eu-doped 2D GaSe,which enhances the probability of electron transition.Compared with intrinsic 2D GaSe,the static dielectric constant of the doped 2D GaSe increases,and the polarization ability is strengthened.The ab-sorption spectrum of the doped 2D GaSe shifts in the low-energy direction,and the red-shift phenomenon occurs,which extends the absorption spectral range.The optical reflection coefficient of the doped 2D GaSe is improved in the low energy region,and the improvement of Eu-doped 2D GaSe is the most obvious.

Two-dimensional Boron Nitride for Electronics and Energy Applications

Two-dimensional(2D)boron nitride(BN),the so-called“white graphene,”has demonstrated a great potential in various fields,particularly in electronics and energy,by utilizing its wide bandgap(~5.5 eV),superior thermal stability,high thermal conductance,chemical inertness,and outstanding dielectric properties.However,to further optimize the performances from the view of structure-property relationship,the determinative factors such as crystallite sizes,layer thickness,dispersibility,and surface functionalities should be precisely controlled and adjusted.Therefore,in this review,the synthesis and functionalization methods including“top-down”and“bottom-up”strategies,and non-covalent and covalent modifications for 2D BN are systematically classified and discussed at first,thus catering for the requirements of versatile applications.Then,the progresses of 2D BN applied in the fields of microelectronics such as fieldeffect transistors and dielectric capacitors,energy domains such as thermal energy management and conversion,and batteries and supercapacitors are summarized to highlight the importance of 2D BN.Notably,these contents not only contain the state-of-the-art 2D BN composites,but also bring the current novel design of 2D BN-based microelectronic units.Finally,the challenges and perspectives are proposed to better broaden the scope of this material.Therefore,this review will pave an all-around way for understanding,utilizing,and applying 2D BN in future electronics and energy applications.

Pseudohalide induced tunable electronic and excitonic properties in two-dimensional single-layer perovskite for photovoltaics and photoelectronic applications

Two-dimensional(2D) layered organic-inorganic hybrid perovskites have attracted much more attention for some applications than their three-dimensional(3D) perovskite counterparts due to their promising thermal and moisture stabilities.In particular, the 2D perovskite devices have shown better promise for optoelectronic applications.However, tunability of optoelectronic properties is often demanded to improve the device performance.Herein, we adopt a newly method to tune the electronic properties of 2D perovskite by introducing pseudohalide into the structure.In this work, we designed a pseudohalidesubstituted 2D perovskite by substituting the out-of-plane halide with pseudohalide and studied the electronic and excitonic properties of 2D-BA2MX4 and 2D-BA2MX2Ps2(M=Ge^(2+), Sn^(2+), and Pb^(2+);X=I;Ps=NCO, NCS, OCN, SCN, Se CN).We revealed the dependence of electronic properties including band gaps, composition of band edges, bonding characteristics, work functions, effective masses, and exciton binding energies on different pseudohalides substituted in 2D perovskite.Our results indicate that the substitution of pseudohalide in 2D perovskites is energetically favorable and can significantly affect the bonding characteristics as well as the CBM and VBM that often play major role in determining their performance in optoelectronic devices.It is expected that the pseudohalide substitution will be helpful in developing more advanced optoelectronic device based on 2D perovskite by optimizing band alignment and promoting charge extraction.

Twist-angle two-dimensional superlattices and their application in(opto)electronics

Twist-angle two-dimensional systems,such as twisted bilayer graphene,twisted bilayer transition metal dichalcogenides,twisted bilayer phosphorene and their multilayer van der Waals heterostructures,exhibit novel and tunable properties due to the formation of Moirésuperlattice and modulated Moirébands.The review presents a brief venation on the development of"twistronics"and subsequent applications based on band engineering by twisting.Theoretical predictions followed by experimental realization of magic-angle bilayer graphene ignited the flame of investigation on the new freedom degree,twistangle,to adjust(opto)electrical behaviors.Then,the merging of Dirac cones and the presence of flat bands gave rise to enhanced light-matter interaction and gate-dependent electrical phases,respectively,leading to applications in photodetectors and superconductor electronic devices.At the same time,the increasing amount of theoretical simulation on extended twisted 2D materials like TMDs and BPs called for further experimental verification.Finally,recently discovered properties in twisted bilayer h-BN evidenced h-BN could be an ideal candidate for dielectric and ferroelectric devices.Hence,both the predictions and confirmed properties imply twist-angle two-dimensional superlattice is a group of promising candidates for next-generation(opto)electronics.

High-throughput computational material screening of the cycloalkane-based two-dimensional Dion–Jacobson halide perovskites for optoelectronics

Two-dimensional(2D) layered perovskites have emerged as potential alternates to traditional three-dimensional(3D)analogs to solve the stability issue of perovskite solar cells. In recent years, many efforts have been spent on manipulating the interlayer organic spacing cation to improve the photovoltaic properties of Dion–Jacobson(DJ) perovskites. In this work, a serious of cycloalkane(CA) molecules were selected as the organic spacing cation in 2D DJ perovskites, which can widely manipulate the optoelectronic properties of the DJ perovskites. The underlying relationship between the CA interlayer molecules and the crystal structures, thermodynamic stabilities, and electronic properties of 58 DJ perovskites has been investigated by using automatic high-throughput workflow cooperated with density-functional(DFT) calculations.We found that these CA-based DJ perovskites are all thermodynamic stable. The sizes of the cycloalkane molecules can influence the degree of inorganic framework distortion and further tune the bandgaps with a wide range of 0.9–2.1 eV.These findings indicate the cycloalkane molecules are suitable as spacing cation in 2D DJ perovskites and provide a useful guidance in designing novel 2D DJ perovskites for optoelectronic applications.

Electronic,Elastic and Piezoelectric Properties of Two-Dimensional Group-Ⅳ Buckled Monolayers

Electronic, elastic and piezoelectric properties of two-dimensional （2D） group-IV buckled monolayers （GeSi, SnSi and SnGe） are studied by first principle calculations. According to our calculations, SnSi and SnGe are good 2D piezoelectric materials with large piezoelectric coefficients. The values of d11d11 of SnSi and SnGe are 5.04pm/V and 5.42pm/V, respectively, which are much larger than 2D MoS2 （3.6pm/V） and are comparable with some frequently used bulk materials （e.g., wurtzite AlN 5.1pm/V）. Charge transfer is calculated by the L wdin analysis and we find that the piezoelectric coefficients （d11d11 and d31） are highly dependent on the polarizabilities of the anions and cations in group-IV monolayers.

Effects of layer stacking and strain on electronic transport in two-dimensional tin monoxide

Tin monoxide(SnO) is an interesting two-dimensional material because it is a rare oxide semiconductor with bipolar conductivity.However, the lower room temperature mobility limits the applications of SnO in the future.Thus, we systematically investigate the effects of different layer structures and strains on the electron–phonon coupling and phonon-limited mobility of SnO.The A2uphonon mode in the high-frequency region is the main contributor to the coupling with electrons for different layer structures.Moreover, the orbital hybridization of Sn atoms existing only in the bilayer structure changes the conduction band edge and conspicuously decreases the electron–phonon coupling, and thus the electronic transport performance of the bilayer is superior to that of other layers.In addition, the compressive strain of ε=-1.0% in the monolayer structure results in a conduction band minimum(CBM) consisting of two valleys at the Γ point and along the M–Γ line, and also leads to the intervalley electronic scattering assisted by the Eg(-1)mode.However, the electron–phonon coupling regionally transferring from high frequency A2uto low frequency Eg(-1)results in little change of mobility.

Tailoring electronic properties of two-dimensional antimonene with isoelectronic counterparts

Using ab initio density functional theory calculations, we explore the three most stable structural phases, namely, α,β, and cubic(c) phases, of two-dimensional(2D) antimonene, as well as its isoelectronic counterparts SnTe and InI. We find that the band gap increases monotonically from Sb to SnTe to InI along with an increase in ionicity, independent of the structural phases. The band gaps of this material family cover the entire visible-light energy spectrum, ranging from 0.26 eV to 3.37 eV, rendering them promising candidates for optoelectronic applications. Meanwhile, band-edge positions of these materials are explored and all three types of band alignments can be achieved through properly combining antimonene with its isoelectronic counterparts to form heterostructures. The richness in electronic properties for this isoelectronic material family sheds light on possibilities to tailor the fundamental band gap of antimonene via lateral alloying or forming vertical heterostructures.

Magnetic and electronic properties of two-dimensional metal-organic frameworks TM_(3)(C_(2)NH)_(12)

The ferromagnetism of two-dimensional(2D)materials has aroused great interest in recent years,which may play an important role in the next-generation magnetic devices.Herein,a series of 2D transition metal-organic framework materials(TM-NH MOF,TM=Sc-Zn)are designed,and their electronic and magnetic characters are systematically studied by means of first-principles calculations.Their structural stabilities are examined through binding energies and ab-initio molecular dynamics simulations.Their optimized lattice constants are correlated to the central TM atoms.These 2D TM-NH MOF nanosheets exhibit various electronic and magnetic performances owing to the effective charge transfer and interaction between TM atoms and graphene linkers.Interestingly,Ni-and Zn-NH MOFs are nonmagnetic semiconductors(SM)with band gaps of 0.41 eV and 0.61 eV,respectively.Co-and Cu-NH MOFs are bipolar magnetic semiconductors(BMS),while Fe-NH MOF monolayer is a half-semiconductor(HSM).Furthermore,the elastic strain could tune their magnetic behaviors and transformation,which ascribes to the charge redistribution of TM-3d states.This work predicts several new 2D magnetic MOF materials,which are promising for applications in spintronics and nanoelectronics.

Two-Dimensional Electronic Spectroscopy with Active Phase Management

Two-dimensional elec tronic spec troscopy(2DES)is a powerful met hod to probe the coherent electron dynamics in complicated systems.Stabilizing the phase difference of the incident ultrashort pulses is the mos t challenging par t for experimen tal demonstration of 2DES.Here,we present a tuto rial review on the 2DES proto cols based on active phase managements which are originally developed for quantum optics experiments.We introduce the 2DES techniques in box and pump-probe geometries with phase stabilization realized by interferometry,and outline the fully collinear 2DES approach with the frequency tagging by acoustic optical modulators and frequency combs.The combination of active phase managements,ultrashort pulses and other spectroscopic methods may open new opportunities to tackle essential challenges related to excited states.

Influence of Al Composition on Transport Properties of Two-Dimensional Electron Gas in Al_xGa_(1-x)N/GaN Heterostructures

Magnetotransport properties of two-dimensional electron gases （2DEG） in AlxGa1-x N/GaN heterostructures with different Al compositions are investigated by magnetotransport measurements at low temperatures and in high magnetic fields. It is found that heterostructures with a lower Al composition in the barrier have lower 2DEG concentration and higher 2DEG mobility.

Dynamic behavior of tunneling triboelectric charges in two-dimensional materials

Although the research history of triboelectrification has been more than 2000 years, there are still many problems to be solved so far.The use of scanning probe microscopy provides an important way to quantitatively study the transfer, accumulation, and dissipation of triboelectric charges in the process of triboelectrification. Two-dimensional materials are considered to be key materials for new electronic devices in the post-Moore era due to their atomic-scale size advantages. If the electrostatic field generated by triboelectrification can be used to replace the traditional gate electrostatic field, it is expected to simplify the structure of two-dimensional electronic devices and reconfigure them at any time according to actual needs. Here, we investigate the triboelectrification process of various two-dimensional materials such as MoS_(2), WSe_(2),and ZnO. Different from traditional bulk materials, after two-dimensional materials are rubbed, the triboelectric charges generated may tunnel through the two-dimensional materials to the underlying substrate surface. Because the tunneling triboelectric charge is protected by the twodimensional material, its stable residence time on the substrate surface can reach more than 7 days, which is more than tens of minutes for the traditional triboelectric charge. In addition, the electrostatic field generated by the tunneling triboelectric charge can effectively regulate the carrier transport performance of two-dimensional materials, and the source–drain current of the field effect device regulated by the triboelectric floating gate is increased by nearly 60 times. The triboelectric charge tunneling phenomenon in two-dimensional materials is expected to be applied in the fields of new two-dimensional electronic devices and reconfigurable functional circuits.

p‑Type Two‑Dimensional Semiconductors:From Materials Preparation to Electronic Applications

Two-dimensional(2D)materials are regarded as promising candidates in many applications,including electronics and optoelectronics,because of their superior properties,including atomic-level thickness,tunable bandgaps,large specific surface area,and high carrier mobility.In order to bring 2D materials from the laboratory to industrialized applications,materials preparation is the first prerequisite.Compared to the n-type analogs,the family of p-type 2D semiconductors is relatively small,which limits the broad integration of 2D semiconductors in practical applications such as complementary logic circuits.So far,many efforts have been made in the preparation of p-type 2D semiconductors.In this review,we overview recent progresses achieved in the preparation of p-type 2D semiconductors and highlight some promising methods to realize their controllable preparation by following both the top-down and bottom-up strategies.Then,we summarize some significant application of p-type 2D semiconductors in electronic and optoelectronic devices and their superiorities.In end,we conclude the challenges existed in this field and propose the potential opportunities in aspects from the discovery of novel p-type 2D semiconductors,their controlled mass preparation,compatible engineering with silicon production line,high-κdielectric materials,to integration and applications of p-type 2D semiconductors and their heterostructures in electronic and optoelectronic devices.Overall,we believe that this review will guide the design of preparation systems to fulfill the controllable growth of p-type 2D semiconductors with high quality and thus lay the foundations for their potential application in electronics and optoelectronics.

High-temperature ferromagnetism and strongπ-conjugation feature in two-dimensional manganese tetranitride

Two-dimensional(2D)magnetic materials have attracted tremendous research interest because of the promising application in the next-generation microelectronic devices.Here,by the first-principles calculations,we propose a twodimensional ferromagnetic material with high Curie temperature,manganese tetranitride MnN4monolayer,which is a square-planar lattice made up of only one layer of atoms.The structure is demonstrated to be stable by the phonon spectra and the molecular dynamic simulations,and the stability is ascribed to theπ–d conjugation betweenπorbital of N=N bond and d orbital of Mn.More interestingly,the MnN_(4)monolayer displays robust 2D ferromagnetism,which originates from the strong exchange couplings between Mn atoms due to theπ–d conjugation.The high critical temperature of 247 K is determined by solving the Heisenberg model using the Monte Carlo method.

Two-dimensional electron gas characteristics of InP-based high electron mobility transistor terahertz detector

The samples of InxGa（1-x）As/In（0.52）Al（0.48）As two-dimensional electron gas（2DEG）are grown by molecular beam epitaxy（MBE）.In the sample preparation process,the In content and spacer layer thickness are changed and two kinds of methods,i.e.,contrast body doping andδ-doping are used.The samples are analyzed by the Hall measurements at 300 Kand 77 K.The InxGa1-xAs/In0.52Al0.48As 2DEG channel structures with mobilities as high as 10289 cm^2/V·s（300 K）and42040 cm^2/V·s（77 K）are obtained,and the values of carrier concentration（Nc）are 3.465×10^12/cm^2 and 2.502×10^12/cm^2,respectively.The THz response rates of In P-based high electron mobility transistor（HEMT）structures with different gate lengths at 300 K and 77 K temperatures are calculated based on the shallow water wave instability theory.The results provide a reference for the research and preparation of In P-based HEMT THz detectors.

Electron mobility anisotropy in (Al,Ga)Sb/InAs two-dimensional electron gases epitaxied on GaAs (001) substrates

The electron mobility anisotropy in (Al,Ga)Sb/InAs two-dimensional electron gases with different surface morphology has been investigated.Large electron mobility anisotropy is found for the sample with anisotropic morphology,which is mainly induced by the threading dislocations in the InAs layer.For the samples with isotropic morphology,the electron mobility is also anisotropic and could be attributed to the piezoelectric scattering.At low temperature (below transition temperature),the piezoelectric scattering is enhanced with the increase of temperature,leading to the increase of electron mobility anisotropy.At high temperature (above transition temperature),the phonon scattering becomes dominant.Because the phonon scattering is isotropic,the electron mobility anisotropy in all the samples would be reduced.Our results provide useful information for the comprehensive understanding of electron mobility anisotropy in the (Al,Ga)Sb/InAs system.

Formation of two-dimensional electron gas at AlGaN/GaN heterostructure and the derivation of its sheet density expression

Models for calculating the sheet densities of two-dimensional electron gas （2DEG） induced by spontaneous and piezoelectric polarization in A1GaN/GaN, A1GaN/A1N/GaN, and GaN/A1GaN/GaN heterostructures are provided. The detailed derivation process of the expression of 2DEG sheet density is given. A longstanding confusion in a very widely cited formula is pointed out and its correct expression is analyzed in detail.