Β12 Borophene Research Articles

Enhanced Superconductivity of Hydrogenated β12 Borophene.

Borophene stands out among elemental two-dimensional materials due to its extraordinary physical properties, including structural polymorphism, strong anisotropy, metallicity, and the potential for phonon-mediated superconductivity. However, confirming superconductivity in borophene experimentally has been evasive to date, mainly due to the detrimental effects of metallic substrates and its susceptibility to oxidation. In this study, we present an ab initio analysis of superconductivity in the experimentally synthesized hydrogenated β12 borophene, which has been proven to be less prone to oxidation. Our findings demonstrate that hydrogenation significantly enhances both the stability and superconducting properties of β12 borophene. Furthermore, we reveal that tensile strain and hole doping, achievable through various experimental methods, significantly enhance the critical temperature, reaching up to 29 K. These findings not only promote further fundamental research on superconducting borophene and its heterostructures, but also position hydrogenated borophene as a versatile platform for low-dimensional superconducting electronics.

DFT-D study of carbon-doped β12 borophene as a desirable anode material for sodium-ion batteries

In the quest for the elaboration of advanced energy storage systems (EESs), sodium-ion batteries (SIBs) have emerged as a hopeful alternative to their lithium-ion counterparts, owing to the abundant availability of sodium. This article delves into the utilization of carbon-doped β12 borophene as an anode material for SIBs using density functional theory (DFT) calculations. Based on the band structure calculations, the metallic electronic character of this structure facilitates rapid electron transfer, contributing to its superior performance. Moreover, the remarkably low-energy barrier of 0.066–0.328 eV for migration ensures efficient sodium ion transport, which is critical for new fast-charge technology and better charge/discharge performance. Our investigation reveals that carbon-doped β12 Borophene’s two-dimensional structure, high electrical conductivity, and theoretical capacity of 1972 mAh g−1 make it an ideal candidate for SIB anodes, offering a new avenue for the development of low cost and high-capacity energy storage solutions.

Klein Tunneling in β12 Borophene.

Motivated by the recent observation of Klein tunneling in 8-Pmmn borophene, we delve into the phenomenon in β12 borophene by employing tight-binding approximation theory to establish a theoretical mode. The tight-binding model is a semi-empirical method for establishing the Hamiltonian based on atomic orbitals. A single cell of β12 borophene contains five atoms and multiple central bonds, so it creates the complexity of the tight-binding model Hamiltonian of β12 borophene. We investigate transmission across one potential barrier and two potential barriers by changing the width and height of barriers and the distance between two potential barriers. Regardless of the change in the barrier heights and widths, we find the interface to be perfectly transparent for normal incidence. For other angles of incidence, perfect transmission at certain angles can also be observed. Furthermore, perfect and all-angle transmission across a potential barrier takes place when the incident energy approaches the Dirac point. This is analogous to the "super", all-angle transmission reported for the dice lattice for Klein tunneling across a potential barrier. These findings highlight the significance of our theoretical model in understanding the complex dynamics of Klein tunneling in borophene structures.

Chiral Induction in 2D Borophene Nanoplatelets through Stereoselective Boron-Sulfur Conjugation.

Chirality is a structural metric that connects biological and abiological forms of matter. Although much progress has been made in understanding the chemistry and physics of chiral inorganic nanoparticles over the past decade, almost nothing is known about chiral two-dimensional (2D) borophene nanoplatelets and their influence on complex biological networks. Borophene's polymorphic nature, derived from the bonding configurations among boron atoms, distinguishes it from other 2D materials and allows for further customization of its material properties. In this study, we describe a synthetic methodology for producing chiral 2D borophene nanoplatelets applicable to a variety of structural polymorphs. Using this methodology, we demonstrate feasibility of top-down synthesis of chiral χ3 and β12 phases of borophene nanoplatelets via interaction with chiral amino acids. The chiral nanoplatelets were physicochemically characterized extensively by various techniques. Results indicated that the thiol presenting amino acids, i.e., cysteine, coordinates with borophene in a site-selective manner, depending on its handedness through boron-sulfur conjugation. The observation has been validated by circular dichroism, X-ray photoelectron spectroscopy, and 11B NMR studies. To understand how chiral nanoplatelets interact with biological systems, mammalian cell lines were exposed to them. Results showed that the achiral as well as the left- and right-handed biomimetic χ3 and β12 borophene nanoplatelets have distinct interaction with the cellular membrane, and their internalization pathway differs with their chirality. By engineering optical, physical, and chemical properties, these chiral 2D nanomaterials could be applied successfully to tuning complex biological events and find applications in photonics, sensing, catalysis, and biomedicine.

Hydrogenation driven ultra-low lattice thermal conductivity in β 12 borophene

Borophene gathered large interest owing to its polymorphism and intriguing properties such as Dirac point, inherent metallicity, etc but oxidation limits its capabilities. Hydrogenated borophene was recently synthesised experimentally to harness its applications. Motivated by experimental work, in this paper, using first-principles calculations and Boltzmann transport theory, we study the freestanding β 12 borophene nanosheet doped and functionalised with hydrogen (H), lithium (Li), beryllium (Be), and carbon (C) atoms at different β 12 lattice sites. Among all possible configurations, we screen two stable candidates, pristine and hydrogenated β 12 borophene nanosheets. Both nanosheets possess dynamic and mechanical stability while the hydrogenated sheet has different anisotropic metallicity compared to pristine sheet leading to enhancement in brittle behaviour. Electronic structure calculations reveal that both nanosheets host Dirac cones (DCs), while hydrogenation leads to shift and enhancement in tilt of the DCs. Further hydrogenation leads to the appearance of additional Fermi pockets in the Fermi surface. Transport calculations reveals that the lattice thermal conductivity changes from 12.51 to 0.22 W m−1 K−1 (along armchair direction) and from 4.42 to 0.07 W m−1 K−1 (along zigzag direction) upon hydrogenation at room temperature (300 K), demonstrating a large reduction by two orders of magnitude. Such reduction is mainly attributed to decreased phonon mean free path and relaxation time along with the enhanced phonon scattering rates stemming from high frequency phonon flat modes in hydrogenated nanosheet. Comparatively larger weighted phase space leads to increased anharmonic scattering in hydrogenated nanosheet contributing to ultra-low lattice thermal conductivity. Consequently, hydrogenated β 12 nanosheet exhibits a comparatively higher thermoelectric figure of merit (∼0.75) at room temperature along armchair direction. Our study demonstrates the effects of functionalisation on transport properties of freestanding β 12 borophene nanosheets which can be utilised to enhance the thermoelectric performance in two-dimensional (2D) systems and expand the applications of boron-based 2D materials.

Microwave Doping of Sulfur and Iron in β12 Borophene.

Borophene, a 2D material exhibiting unique crystallographic phases like the anisotropic atomic lattices of β12 and X3 phases, has attracted considerable attention due to its intriguing Dirac nature and metallic attributes. Despite surpassing graphene in electronic mobility, borophene's potential in energy storage and catalysis remains untapped due to its inherent electrochemical and catalytic limitations. Elemental doping emerges as a promising strategy to introduce charge carriers, enabling localized electrochemical and catalytic functionalities. However, effective doping of borophene has been a complex and underexplored challenge. Here, an innovative, one-pot microwave-assisted doping method, tailored for the β12 phase of borophene is introduced. By subjecting dispersed β12 borophene in dimethylformamide to controlled microwave exposure with sulfur powder and FeCl3 as doping precursors, S- and Fe doping in borophene can be controlled. Employing advanced techniques including high-resolution transmission electron microscopy, Raman spectroscopy, and X-ray photoelectron spectroscopy, confirm successful sulfur and iron dopant incorporation onto β12 borophene is confirmed, achieving doping levels of up to 11 % and 13 %, respectively. Remarkably, S- and Fe-doped borophene exhibit exceptional supercapacitive behavior, with specific capacitances of 202 and 120Fg-1, respectively, at a moderate current density of 0.25Ag-1.

Theoretical study of transition metal-doped β12 borophene as a new single-atom catalyst for carbon dioxide electroreduction.

The electrocatalytic carbon dioxide reduction reaction (CO2RR) presents a viable and cost-effective approach for the elimination of CO2 by transforming it into valuable products. Nevertheless, this process is impeded by the absence of exceptionally active and stable catalysts. Herein, a new type of electrocatalyst of transition metal (TM)-doped β12-borophene (TM@β12-BM) is investigated via density functional theory (DFT) calculations. Through comprehensive screening, two promising single-atom catalysts (SACs), Sc@β12-BM and Y@β12-BM, are successfully identified, exhibiting high stability, catalytic activity and selectivity for the CO2RR. The C1 products methane (CH4) and methanol (CH3OH) are synthesized with limiting potentials (UL) of -0.78 V and -0.56 V on Sc@β12-BM and Y@β12-BM, respectively. Meanwhile, CO2 is more favourable for reduction into the C2 product ethanol (CH3CH2OH) compared to ethylene (C2H4) via C-C coupling on these two SACs. More importantly, the dynamic barriers of the key C-C coupling step are 0.53 eV and 0.73 eV for the "slow-growth" sampling approach in the explicit water molecule model. Furthermore, Sc@β12-BM and Y@β12-BM exhibit higher selectivity for producing C1 compounds (CH4 and CH3OH) than C2 (CH3CH2OH) in the CO2RR. Compared with Sc@β12-BM, Y@β12-BM demonstrates superior inhibition of the competitive hydrogen evolution reaction (HER) in the liquid phase. These results not only demonstrate the great potential of SACs for direct reduction of CO2 to C1 and C2, but also help in rationally designing high-performance SACs.

Selective Interfacial Excited-State Carrier Dynamics and Efficient Charge Separation in Borophene-Based Heterostructures.

Borophene-based van der Waals heterostructures have demonstrated enormous potential in the realm of optoelectronic and photovoltaic devices, which has sparked a wide range of interest. However, a thorough understanding of the microscopic excited-state electronic dynamics at interfaces is lacking, which is essential for determining the macroscopic optoelectronic and photovoltaic performance of borophene-based devices. In this study, photoexcited carrier dynamics of β12 , χ3 , and α΄ borophene/MoS2 heterostructures are systematically studied based on time-domain nonadiabatic molecular dynamics simulations. Different Schottky contacts are found in borophene/semiconductor heterostructures. The interplay between Schottky barriers, electronic coupling, and the involvement of different phonon modes collectively contribute to the unique carrier dynamics in borophene-based heterostructures. The diverse borophene allotropes within the heterostructures exhibit distinct and selective carrier transfer behaviors on an ultrafast timescale: electrons tunnel into α΄ borophene with an ultrafast transfer rate (≈29fs) in α΄/MoS2 heterostructures, whereas β12 borophene only allows holes to migrate with a lifetime of 176fs. The feature enables efficient charge separation and offers promising avenues for applications in optoelectronic and photovoltaic devices. This study provides insight into the interfacial carrier dynamics in borophene-based heterostructures, which is helpful in further design of advanced 2D boron-based optoelectronic and photovoltaic devices.

Multi-doped borophene catalysts with engineered defects for CO2 reduction: A DFT study

Carbon dioxide reduction reaction (CO2RR) to convert carbon dioxide (CO2) into value-added products via the electrochemical method is a conducive way to tackle the hazard of high CO2 emissions. The present DFT study reports a novel dual chromium-anchored tri-vacancy borophene (Cr2/TV-β12) electrocatalyst, which showed high selectivity and stability for CO2RR. A tri-vacancy defect was introduced in β12 borophene to create an 11-membered ring borophene sheet (TV-β12), and 28 different electrocatalysts were explored via doping various transition metals (Co, Cr, Cu, Fe, Mn, Ni, Zn). Density functional theory simulation results revealed that the Cr2/TV-β12 electrocatalyst adsorbs and activates CO2 efficiently, which was validated by the partial density of states, charge density difference, Bader charge, and crystal orbital Hamilton population analyses. The limiting potential for CO2RR was evaluated to be −0.45 V, against hydrogen evolution reaction (HER) (0.57 V), with the main product being formaldehyde. The catalyst showed selectivity towards CO2 reduction and suppressed HER. The usual problem of carbon monoxide poisoning encountered in CO2 reduction was also assessed and a high resistance against the same was established. At the outset, the research revealed that dual atom-doped tri-vacancy β12 borophene has tremendous potential to be utilized as an efficient catalyst for CO2RR.

Theoretical study of β12 borophene supported metal for electrocatalytic CO2 reduction reaction

With the increase in global greenhouse gas emissions, reducing CO2 content and effectively utilizing CO2 resources are of great significance. Electrocatalytic carbon dioxide reduction reaction (CO2RR), as a green and sustainable electrochemical method, can convert CO2 into useful chemicals (CO, HCOOH, CH4, CH3OH, etc). Borophene is a promising electrocatalyst due to its excellent physical and chemical properties such as large surface area, good conductivity and flexible electrochemical reaction. Here, a series of TM@β12 loaded 3d-TM was designed for electrocatalysis of CO2RR using β12 borophene. The Gibbs free energy under the rate-determining step (RDS) is compared by exploring the optimal path of CO2RR, four catalysts with excellent catalytic activity for CO2RR were selected. Among them, Co@β12 possess an almost negligible overpotential (0.001 V) for generating CO, which means that CO2 to CO conversion can be realized without additional voltage application. The overpotential of Ti@β12, Cu@β12 and Zn@β12 in the formation of HCOOH products was only 0.02 V. In addition, the overpotential of Ti@β12 to CH3OH and CH4 products is very ideal, which are 0.27 and 0.41 V, respectively. As an unexpected surprise, the HER overpotential of Cr@β12 was 0.10 V, which is suggested to be an excellent catalyst to replace precious metals for hydrogen production from water electrolysis. This study provides guidance for the rational design and screening of highly active and selective CO2RR catalysts.

First-principles study of beryllium substituted borophene as an anode material for Li/Na-ion batteries

In this work, we predict the effects of beryllium (Be) doping on β12 borophene as an electrode material for lithium-ion batteries (LIBs) and sodium-ion batteries (NIBs) by using first principles methods. The optimized Li and Na adsorption sites are identified, and we found that Be doping enhances a single Li/Na ion adsorption on β12 borophene with increased adsorption energy (−2.174/−1.765 eV for Li/Na). Before to and following adsorption of Li/Na, the electrical conductivity of Be-doped borophene was revealed by the finite density of states at the Fermi level. Be-doped borophene provides adequate open circuit voltages (0.84/0.80 V for LIBs/NIBs). Besides these advantages, most remarkably, BeB19 has an extremely high theoretical specific capacity of 2869/2087 mA h g−1 for LIBs/NIBs which is several times higher than the other discovered 2D materials. Our results support that Be doping has a positive effect on β12 borophene and can be used to create anodes with excellent electrochemical properties for both LIBs and NIBs.

Hazardous (NO2, NO, CO, CO2, SO2, and NH3) molecules interacting with Pt-decorated [formula omitted] borophene. A first-principle study

First principles study within the density functional theory is addressed to study the energetic and electronic properties of β12 borophene nanosheet with adsorbed platinum (Pt). In addition, the potential use of Pt-decorated borophene as a catalytic material and molecular sensor is also studied. We observed that the most stable configuration (lower binding energy) for Pt be adsorbed on the β12 borophene nanosheet is on the center of a hexagon (Eb=−4.473 eV). The presence of Pt adsorbed does not modify the metallic properties of β12 borophene but gives rise to new electronic levels resonant with the conduction band (around 2.0 eV above the Fermi energy). The calculated Bader charge show a charge transference of 0.567 electrons from borophene to the Pt atom. When molecules are adsorbed on the Pt atom, the calculated adsorption energies, electronic density of states (DOS), work function, and charge transference show that there is a strong interaction between hazardous molecules and Pt-decorated β12 borophene. The only exception is CO2, which interact with Pt-decorated borophene via van der Waals forces. The comparative analysis of the DOS before and after the molecular adsorption shows that the Pt levels are spread out and shifted to the Fermi energy after the molecular adsorption. The results of the DOS, charge transference, as well as the change in the work function allow us to infer that Pt-decorated β12 borophene is a potential material to be used as catalyst and gas sensing.

Adsorption Features of Tetrahalomethanes (CX4; X = F, Cl, and Br) on β12 Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study.

The potentiality of the β12 borophene (β12) and pristine graphene (GN) nanosheets to adsorb tetrahalomethanes (CX4; X = F, Cl, and Br) were investigated using density functional theory (DFT) methods. To provide a thorough understanding of the adsorption process, tetrel (XC-X3∙∙∙β12/GN)- and halogen (X3C-X∙∙∙β12/GN)-oriented configurations were characterized at various adsorption sites. According to the energetic manifestations, the adsorption process of the CX4∙∙∙β12/GN complexes within the tetrel-oriented configuration led to more desirable negative adsorption energy (Eads) values than that within the halogen-oriented analogs. Numerically, Eads values of the CBr4∙∙∙Br1@β12 and T@GN complexes within tetrel-/halogen-oriented configurations were -12.33/-8.91 and -10.03/-6.00 kcal/mol, respectively. Frontier molecular orbital (FMO) results exhibited changes in the EHOMO, ELUMO, and Egap values of the pure β12 and GN nanosheets following the adsorption of CX4 molecules. Bader charge transfer findings outlined the electron-donating property for the CX4 molecules after adsorbing on the β12 and GN nanosheets within the two modeled configurations, except the adsorbed CBr4 molecule on the GN sheet within the tetrel-oriented configuration. Following the adsorption process, new bands and peaks were observed in the band structure and density of state (DOS) plots, respectively, with a larger number in the case of the tetrel-oriented configuration than in the halogen-oriented one. According to the solvent effect affirmations, adsorption energies of the CX4∙∙∙β12/GN complexes increased in the presence of a water medium. The results of this study will serve as a focal point for experimentalists to better comprehend the adsorption behavior of β12 and GN nanosheets toward small toxic molecules.

DFT-Based Tight-binding model of vdW bilayer χ3 and β12 borophene

In this work, a tight-binding (TB) model with the Slater–Koster (SK) approximation is presented to describe the electronic properties of vdW bilayer χ3 and β12 borophene with AA stack. This model is created by using four orbitals of S, Px, Py, and Pz for each boron atom. By fitting the results of the TB model and density functional theory (DFT) calculations using the least-squares method and the Levenberg-Marquardt nonlinear fitting algorithm, the optimal Hamiltonian and the overlap matrix are calculated. This TB model well describes energy bands around high-symmetry k-points, by considering three nearest neighbors in each layer and a non-orthogonal basis set.

Far-field thermal properties of β12 borophene under an external electric field.

Borophene has been reported as the latest very promising 2D material. We theoretically investigate the thermal radiation of β12 borophene. β12 borophene has been composited on Ag substrate. Theoretical research frequently mentions three types of model of β12 borophene. The energy bands of the three models are different. Homogeneous and inversion symmetric models have a gapless Dirac cone near the K(K') point, while they are gapped in the inversion non-symmetric model. The homogeneous model has gapless triplet fermions and three-band touching points at high-symmetry points. The optical conductivity exhibits peaks due to the energy transition of high-symmetry points. The radiation spectrum follows Wien's displacement law in homogeneous and inversion symmetric models, while it is broken in the inversion non-symmetric model. The total energy radiation changes as the voltage increases for the three β12 borophene models. The radiation of energy can be controlled by applying a suitable voltage.

An investigation of halogen induced improvement of β12 borophene for Na/Li storage by density functional theory

Pristine and halogen doped β12 borophene, as anode of lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs), was considered by first-principles study based on density functional theory. Li and Na were adsorbed on β12 borophene with adsorption energies of −3.18 eV and −2.33 eV, respectively. The effect of halogen addition, X = F, Cl, Br, and I, to borophene sheet on adsorption and also diffusion pathways of Li and Na was studied. The adsorption energy calculations show that the halogen atoms improve Li/Na adsorption on borophene sheet. Also, the results indicate that Li/Na adsorption energies on Brominated borophene sheet are higher compared to other halogen types. Diffusion calculations show that Br addition induces an electron deficiency on BoBr surface which lowers the energy barrier of migration of Li and Na ions compared to the pristine borophene. According to density of states analysis, electron charge is transferred from Li and Na atoms toward halogenated borophene sheet. Also, it can be concluded that electron transfer from Li/Na to borophene host in BoX is higher compared to pristine borophene which is in agreement with adsorption energies. The fully lithiated/sodiated complexes of BoBr are Li0.71BoBr and Na0.50BoBr which is equivalent to theoretical specific capacities of 1401 and 981 mAh/g which are about 3.5 and 2.6 times higher than graphite for Li and Na adsorption, respectively. Higher specific capacity of Li compared to Na is mainly attributed to steric hindrance of Na regarding its greater size. Open circuit voltage values of 1.6 V and 1.4 V were obtained for Li and Na intercalation processes, respectively, into halogen added β12 borophene indicating that this structure can be applied as anode for both LIB and SIB systems.

Adsorption Behavior of Toxic Carbon Dichalcogenides (CX2; X = O, S, or Se) on β12 Borophene and Pristine Graphene Sheets: A DFT Study.

The adsorption of toxic carbon dichalcogenides (CX2; X = O, S, or Se) on β12 borophene (β12) and pristine graphene (GN) sheets was comparatively investigated. Vertical and parallel configurations of CX2⋯β12/GN complexes were studied herein via density functional theory (DFT) calculations. Energetic quantities confirmed that the adsorption process in the case of the parallel configuration was more desirable than that in the vertical analog and showed values up to −10.96 kcal/mol. The strength of the CX2⋯β12/GN complexes decreased in the order CSe2 > CS2 > CO2, indicating that β12 and GN sheets showed significant selectivity for the CSe2 molecule with superb potentiality for β12 sheets. Bader charge transfer analysis revealed that the CO2⋯β12/GN complexes in the parallel configuration had the maximum negative charge transfer values, up to −0.0304 e, outlining the electron-donating character of CO2. The CS2 and CSe2 molecules frequently exhibited dual behavior as electron donors in the vertical configuration and acceptors in the parallel one. Band structure results addressed some differences observed for the electronic structures of the pure β12 and GN sheets after the adsorption process, especially in the parallel configuration compared with the vertical one. According to the results of the density of states, new peaks were observed after adsorbing CX2 molecules on the studied 2D sheets. These results form a fundamental basis for future studies pertaining to applications of β12 and GN sheets for detecting toxic carbon dichalcogenides.

Effects of edge defects on β12 borophene nanoribbon conductance

The conductance of β12-borophene nanoribbons (BNRs) with single edge defects and a weak disorder is studied within the framework of the tight-binding model by employing the Green function technique. It is found that single edge defects give rise to quasi-localized states adjacent to the defects, resulting in conductance dips at energies corresponding to the anti-resonance energy of the edge states and the quasi-localized states due to the edge defects. The results of the calculations indicate that the influence of a single vacancy on the conductance of a BNR is much larger than two vacancies, which can be attributed to the symmetry breaking of sublattices. A weak disorder at the edges of the nanoribbons affects the conductance slightly. As the strength of disorder potential increases, more localized eigenstates are created than the extended ones at the nanoribbon, which causes a conductor to semiconductor transition due to Anderson localization.

Borophene and Pristine Graphene 2D Sheets as Potential Surfaces for the Adsorption of Electron-Rich and Electron-Deficient π-Systems: A Comparative DFT Study.

The versatility of striped borophene (sB), β12 borophene (β12), and pristine graphene (GN) to adsorb π-systems was comparatively assessed using benzene (BNZ) and hexafluorobenzene (HFB) as electron-rich and electron-deficient aromatic π-systems, respectively. Using the density functional theory (DFT) method, the adsorption process of the π-systems on the investigated 2D sheets in the parallel configuration was observed to have proceeded more favorably than those in the vertical configuration. According to the observations of the Bader charge transfer analysis, the π-system∙∙∙sB complexes were generally recorded with the largest contributions of charge transfer, followed by the π-system∙∙∙β12 and ∙∙∙GN complexes. The band structures of the pure sheets signaled the metallic and semiconductor characters of the sB/β12 and GN surfaces, respectively. In the parallel configuration, the adsorption of both BNZ and HFB showed more valence and conduction bands compared to the adsorption in the vertical configuration, revealing the prominent preferentiality of the anterior configuration. The density-of-states (DOSs) results also affirmed that the adsorption process of the BNZ and HFB on the surface of the investigated 2D sheets increased their electrical properties. In all instances, the sB and β12 surfaces demonstrated higher adsorptivity towards the BNZ and HFB than the GN analog. The findings of this work could make a significant contribution to the deep understanding of the adsorption behavior of aromatic π-systems toward 2D nanomaterials, leading, in turn, to their development of a wide range of applications.

PEDOT: PSS / β12 borophene nanocomposites as an inorganic-organic hybrid electrode for high performance supercapacitors

Two-dimensional inorganic borophene nanosheets based nanoformulations obtain great attention in energy storage applications for the development of supercapacitors due to their superior flexibility, high capacitance, and conductivity properties. Herein, the preparation of a novel poly (3,4-ethylenedioxythiophene): polystyrene sulfonate (PEDOT: PSS) / β12 Borophene nanocomposite electroactive material using a simple-solution approach at room temperature has been demonstrated. Borophene with β12 phase crystalline structure has been prepared via a facile and low-cost sonication method to be used in (PEDOT: PSS) / β12 Borophene inorganic-organic hybrid electrode production. The electrochemical measurements have revealed that the specific capacitances of PEDOT: PSS electrode, PEDOT: PSS / Borophene (75/25, wt%) electrode, and PEDOT: PSS / Borophene (50/50, wt%) electrode were 230 Fg−1, 622 Fg−1, 853 Fg−1, respectively. The capacitance retention of the PEDOT: PSS / Borophene (50% Borophene) electrode was 95% after 1000 cycle, it revealed that the PEDOT: PSS / Borophene electrodes have good stability PEDOT: PSS / Borophene (50/50, wt%) is a potential electroactive nanomaterial for high-performance supercapacitors.