Double Vacancy Defects Research Articles

Iron(II) Phthalocyanine Adsorbed on Defective Graphenes: A Density Functional Study.

The adsorptions of iron(II) phthalocyanine (FePc) on graphene and defective graphene were investigated systematically using density functional theory. Three types of graphene defects covering stone-wales (SW), single vacancy (SV), and double vacancy (DV) were taken into account, in which DV defects included DV(5-8-5), DV(555-777), and DV(5555-6-7777). The calculations of formation energies of defects showed that the SW defect has the lowest formation energy, and it was easier for DV defects to form compared with the SV defect. It is more difficult to rotate or move FePc on the surface of defective graphenes than on the surface of graphene due to bigger energy differences at different sites. Although the charge analysis indicated the charge transfers from graphene or defective graphene to FePc for all studied systems, the electron distributions of FePc on various defective graphenes were different. Especially for FePc@SV, the d xy orbital of Fe in the conduction band moved toward the Fermi level about 1 eV, and the d xz of Fe in the valence band for FePc@SV also moved toward the Fermi level compared with FePc@graphene and other FePc@defective graphenes. Between the planes of FePc and defective graphene, the electron accumulation occurs majorly in the position of the FePc molecular plane for FePc@SW, FePc@DV(5-8-5), and FePc@DV(5555-6-7777) as well as FePc@graphene. However, electrons were accumulated on the upper and lower surfaces of the FePc molecular plane for FePc@SV and FePc@DV(555-777). Thus, the electron distribution of FePc can be modulated by introducing the interfaces of different defective graphenes.

Topological defects embedded large-sized single-walled carbon nanotubes for hydrogen storage: A molecular dynamics study

In this paper, we investigate the performance of large-sized single-walled carbon nanotubes (SWCNTs) incorporated with mono vacancy (MV), double vacancy (DV), and Stone-Wales (SW) topological defects as a medium for hydrogen adsorption using molecular dynamics (MD) simulations. A novel potential energy distribution (PED) method is employed with MD simulations to determine the adsorbed hydrogen molecules and associated binding energy. In addition, we extended our work to bundles of defected SWCNT (D-SWCNT) that provided the most prominent adsorption capacity subjected to temperature and pressure variations. In particular, four representative (8,8), (13,13), (19,19), and (33,0) SWCNTs are simulated under various thermodynamic conditions, and collected adsorption isotherms data reveals higher gravimetric density for large-sized SWCNT. At 77 K and 100 bar, the maximum hydrogen uptake in pristine SWCNTs is 6.88–7.73 wt%, depending on the size of the nanotubes. In contrast, the binding energy decreases as the nanotube size increases. At 77 K, (8,8) and (19,19) SWCNTs have average binding energies of 0.043 and 0.021 eV, respectively. Meanwhile, (19,19) SWCNT incorporated with 1% DV defects having 5–8 rings (DV1) and MV defects yields the maximum storage capacity of 9.07 wt% and 8.62 wt%, respectively, at 77 K. Furthermore, the increment of about 43.29% in wt.% is obtained for DV1 defected nanotube relative to pristine SWCNT at 300 K and 100 bar. Moreover, our results indicate the maximum hydrogen uptake of 8.65, 7.15, 2.57, and 1.33 wt% in the square array of DV1 defect embedded SWCNTs at 77, 100, 200, and 300 K, respectively, compared to 9.07, 6.65, 2.24, and 1.11 wt% in the isolated D-SWCNT at identical conditions. As a result, the D-SWCNT bundles are better suited for hydrogen storage at high temperatures than the isolated D-SWCNT. Our present study paves the way to progress toward the efficient usage of D-SWCNTs with few chemical alterations for scaled-up applications.

Effect of vacancy defects and co-doping on the quantum capacitance of silicene-based electrode materials

The design of electrode materials with high energy storage properties plays a key role in developing electric double-layer supercapacitor technology. In recent years, silicene has aroused great interest in the field of energy storage. In this paper, the electronic structure and quantum capacitance of single vacancy defects, topological defects and four kinds of double vacancy defects were systematically investigated, based on density functional theory. It is found that silicene with the topological defect is the most stable defect structure, with the formation energy of 2.067 eV. In the systems of Ag, Au, Cu, Ti, Mn and N co-doping on silicene, the structural stability enhances with the increase of N atoms. CuN2-o-Si structure shows the highest quantum capacitance of 145.499 μF/cm2, which could be an ideal anode material for supercapacitors. The increased quantum capacitance is due to the introduction of localized states near the Fermi level. Both defects and doping can enhance the quantum capacitance of silicene-based electrode materials, and then improve the total interfacial capacitance.

Utilization of boron carbide nanosheet in the recognition cathinone drug concentration in the human body.

This study adopted density functional theory (DFT) and analyzed the interaction of the conventional cathinone (CA) drug with perfect and defected monolayer nanosheets of boron carbide (BC3). BC3 was found to have poor interactions with CA. Hence, the perfect nanosheets had poor CA sensitivity. The potential of single and double vacancy (SV and DV) defects in the nanosheet to strengthen the nanosheet-drug interaction were assessed. The energy of adsorption of CA adsorption onto SV-BC3 and DV-BC3 was nearly - 23.78 and - 15.32kcal/mol, respectively. The adsorption substantially altered the work function and bandgap of the defected nanosheets. However, the perfect BC3 experienced a change merely in bandgap during the drug adsorption-the work function change was slight. Thus, the defected nanosheets could be Φ-type and electronic sensors of CA, whereas the perfect nanosheet has the potential to be solely an electronic detector of CA. A larger dielectric constant led to a significant change in the adsorption energy. Furthermore, DV-BC3 considerably changed in magnetic characteristics due to the drug adsorption.

Enhanced catalytic activities of Fe anchored on graphene substrates for water splitting and hydrogen evolution

Water splitting on single Fe atom catalyst anchored on defective graphene surfaces by using first-principles density functional theory. The structure and electronic features of isolated Fe atom anchored on three graphene surfaces with single vacancy (SV), double vacancy (DV) and Stone-Wales structure (SW) defect were systematically explored. The three structures prove to be high activity and high stability on catalytic. The adsorption and the energy barrier of water splitting as well as hydrogen adsorption free energy ΔGH∗ on single-atom Fe were also studied. The sequence of promoted splitting activity is found to be Fe@SW > Fe@DV > Fe@SV. Furthermore, by hydrogen adsorption free energy ΔGH∗ analysis, we predict that the HER catalytic activity of graphene nanosheet can be improved by anchoring Fe atom on SV and DV structures, which are comparable to or even better than noble metals. It is found that the catalytic activity of water splitting and HER can be changed with the shift in d-band center with respect to Fermi-level. Detailed investigations on electronic structure of Fe@graphene catalytic systems disclose an obvious orbital hybridization coupling and charge transfer between atom Fe on carbon surfaces and water molecule. These results provide us with new insight into design of high performer and low-cost catalysts and may inspire potential applications in the fields of clean and renewable energy.

Defect-Induced Different Band Alignment and Transport of All-Phosphorene Devices from First Principles

Defects are unavoidable in the preparation of materials and can significantly impact the properties of two-dimensional material-based devices. In this work, we proposed and investigated theoretically an all-phosphorene device, in which single vacancy (SV) and double vacancy (DV) defects were considered. It was found that the SV defect changed the original Schottky contact of the all-phosphorene device into a contact similar to that of a metal and a p-type doped semiconductor; the DV defect introduced some impurity states in the forbidden band. The impurity states expanded in a zigzag direction and localized in the armchair direction. The different electronic structures caused by the defects resulting in currents also exhibited defect-related anisotropic characteristics.

Sulfamethoxazole degradation by regulating active sites on distilled spirits lees-derived biochar in a continuous flow fixed bed peroxymonosulfate reactor

Defect type and interactions among active sites are critical in heterogeneous peroxymonosulfate (PMS) system. Herein, a continuous flow fixed bed PMS reactor with distilled spirits lees derived biochar (DSLBs)/quartz wool was designed to explore the synergistic roles of active sites. Satisfyingly, with high graphite N, CO content and defect degree, DSLB-800 exhibited superior catalytic activity, durability and applicability for sulfamethoxazole (SMX) removal. The dominant contribution of 1O2, and minor roles of SO4•− and •OH were confirmed. Single graphite N, CO and C-O, combined interactions between graphite N and pyridine N, graphite N and pyrrole N, pyridine N and pyrrole N, CO and OC-O, OC-O and C-O, as well as interactions among graphite N, pyridine N and pyrrole N contributed to 1O2 generation. Notably, the double vacancy defect was also a preferential site for 1O2 production. This study advances mechanistic understanding of collaborative contribution of active sites to PMS activation.

Near-Interface Defects in Graphene/H-BN In-Plane Heterostructures: Insights into the Interfacial Thermal Transport.

Based on nonequilibrium molecular dynamics (NEMD) and nonequilibrium Green’s function simulations, the interfacial thermal conductance (ITC) of graphene/h-BN in-plane heterostructures with near-interface defects (monovacancy defects, 585 and f5f7 double-vacancy defects) is studied. Compared to pristine graphene/h-BN, all near-interface defects reduce the ITC of graphene/h-BN. However, differences in defective structures and the wrinkles induced by the defects cause significant discrepancies in heat transfer for defective graphene/h-BN. The stronger phonon scattering and phonon localization caused by the wider cross-section in defects and the larger wrinkles result in the double-vacancy defects having stronger energy hindrance effects than the monovacancy defects. In addition, the approximate cross-sections and wrinkles induced by the 585 and f5f7 double-vacancy defects provide approximate heat hindrance capability. The phonon transmission and vibrational density of states (VDOS) further confirm the above results. The double-vacancy defects in the near-interface region have lower low-frequency phonon transmission and VDOS values than the monovacancy defects, while the 585 and f5f7 double-vacancy defects have similar low-frequency phonon transmission and VDOS values at the near-interface region. This study provides physical insight into the thermal transport mechanisms in graphene/h-BN in-plane heterostructures with near-interface defects and provides design guidelines for related devices.

Defects-/doping-driven modulation of the electronic and magnetic properties of 2H- and Td-phase [formula omitted] monolayers: A first-principle study

As one of the transition metal dichalcogenides (TMDs) with layered structure, tungsten telluride (WTe2) has been known for its excellent electric and magnetic properties. Here, we applied density functional theory (DFT) to modify and simulate the structures of 2H-phase and Td-phase WTe2 using the first-principle calculations, and systematically investigated the impact of vacancy defects and substitutional doping on the electronic properties of them. Different types of point defect structures were constructed and their stability was proved by formation energy. Both of single and double vacancy defects are considered, and it shows that 2H-VW translates from semiconducting to semi-metallic, while 2H-VTe and 2H-V2Te remain direct band-gap and indirect band-gap semiconductors, respectively. Td-VTe induces spin polarization and Td-VW changes from semi-metallic to semiconductor. For substitutional dopants, the W or Te atom in 2H-phase and Td-phase WTe2 are substituted by Al, B, C, Co, Fe, N, P, Si atoms. The results show that, except for 2H-C and 2H-Si, all the doping systems of 2H-phase have obvious spin polarization and turn to be magnetic semiconductors. But these doped atoms hardly induce spin polarization in Td-phase WTe2 for the spin-up and spin-down states are mostly symmetrical in the density of state. This work is expected to play a positive role in understanding and regulating the properties of WTe2 and accelerating future applications of nanomaterials.

Vacancy-Induced Thermal Transport and Tensile Mechanical Behavior of Monolayer Honeycomb BeO.

Because of the rapid shrinking trend of integrated circuits, the performances of nanodevices and nanomechanical systems are greatly affected by the joule heating and mechanical failure dilemma. In addition, structural defects are inevitable during experimental synthesis of nanomaterials, which may alter their physical properties significantly. Investigation of the thermal transport and mechanical behavior of nanostructured materials with structural defects is thus a crucial requirement. In this study, the thermal conductivity (TC) and tensile mechanical behavior of monolayer honeycomb BeO are systematically explored using molecular dynamics simulations. An infinite length bulk TC of ∼277.77 ± 8.93 W/mK was found for the pristine monolayer BeO. However, the insertion of 1% single vacancy (SV) and double vacancy (DV) defects reduces the TC by ∼36.98 and ∼33.52%, respectively. On the other hand, the uniaxial tensile loading produces asymmetrical fracture stress, elastic modulus, and fracture strain behaviors in the armchair and zigzag directions. The elastic modulus was reduced by ∼4.7 and ∼6.6% for 1% SV defects along the armchair and zigzag directions, respectively, whereas the reduction was ∼2.7 and ∼ 5.1% for 1% DV defects. Moreover, because of the strong symmetry-breaking effect, both the TC and mechanical strength were significantly lower for the SV defects than those for the DV defects. The highly softening and decreasing trends of the phonon modes with increasing vacancy concentration and temperature, respectively, were noticed for both types of defects, resulting in a reduction of the TC of the defected structures. These findings will be helpful for the understanding of the heat transport and mechanical characteristics of monolayer BeO as well as provide guidance for the design and control of BeO-based nanoelectronic and nanoelectromechanical devices.

Selective decomposition of hydrazine over metal free carbonaceous materials.

Herein we report a combined experimental and computational investigation unravelling the hydrazine hydrate decomposition reaction on metal-free catalysts. The study focuses on commercial graphite and two different carbon nanofibers, pyrolytically stripped (CNF-PS) and high heat-treated (CNF-HHT), respectively, treated at 700 and 3000 °C to increase their intrinsic defects. Raman spectroscopy demonstrated a correlation between the initial catalytic activity and the intrinsic defectiveness of carbonaceous materials. CNF-PS with higher defectivity (ID/IG = 1.54) was found to be the best performing metal-free catalyst, showing a hydrazine conversion of 94% after 6 hours of reaction and a selectivity to H2 of 89%. In addition, to unveil the role of NaOH, CNF-PS was also tested in the absence of alkaline solution, showing a decrease in the reaction rate and selectivity to H2. Density functional theory (DFT) demonstrated that the single vacancies (SV) present on the graphitic layer are the only active sites promoting hydrazine decomposition, whereas other defects such as double vacancy (DV) and Stone-Wales (SW) defects are unable to adsorb hydrazine fragments. Two symmetrical and one asymmetrical dehydrogenation pathways were found, in addition to an incomplete decomposition pathway forming N2 and NH3. On the most stable hydrogen production pathway, the effect of the alkaline medium was elucidated through calculations concerning the diffusion and recombination of atomic hydrogen. Indeed, the presence of NaOH helps the extraction of H species without additional energetic barriers, as opposed to the calculations performed in a polarizable continuum medium. Considering the initial hydrazine dissociative adsorption, the first step of the dehydrogenation pathway is more favourable than the scission of the N-N bond, which leads to NH3 as the product. This first reaction step is crucial to define the reaction mechanisms and the computational results are in agreement with the experimental ones. Moreover, comparing two different hydrogen production pathways (with and without diffusion and recombination), we confirmed that the presence of sodium hydroxide in the experimental reaction environment can modify the energy gap between the two pathways, leading to an increased reaction rate and selectivity to H2.

Strain induced magnetic hysteresis in MoS2 and WS2 monolayers with symmetric double sulfur vacancy defects.

It has been found that magnetism in two-dimensional (2D) transition metal dichalcogenides can be realized by properly introducing vacancies and applying strain. However, no work has clearly clarified the modulation of such 2D magnetism under a sweeping strain. Thus we were motivated in this work to investigate the mechanical and electronic properties of the monolayer MS2 (M = Mo, W) with symmetric S vacancy defects under sweeping strain. The results show that the local structure of the M atoms in MS2 around the defect undergoes a reversible phase transition from a triangular shape (Tri-3M) with short M-M bonds, to a circular one (Cir-6M-12S) with larger M-M bonds as the planar strain increases. The critical tensile strain for the transition from Tri-3M to Cir-6M-12S are 12.53% for MoS2 and 11.46% for WS2, while the critical compressive strain for the reversal from Cir-6M-12S to Tri-3M are -3.60% and -2.16%, respectively. In particular, we find that the magnetism can be continuously modulated and undergoes a hysteresis loop behavior under the sweeping strains, with the residual magnetism being 2 μB. Our work theoretically predicts the promising prospect for exploring low-dimensional semiconductor spintronic devices working without applying a magnetic field.

Comparative study the impact of single and double vacancy defects in BC3 fragment on the acetaminophen detection

Ab initio computations were used to study the interaction of perfect and defected single layer fragment of boron carbide (BC3) with typical acetaminophen (AP) drug. According to the results, no significant interaction was observed amongst BC3 fragment and AP drug with adsorption energy range about −4 to −6 kcal/mol. As well as, the electrical band gap and work function were changed slightly during AP drug adsorption. Accordingly, we investigated the effect of single vacancy (SV) and double vacancy (DV) defect in perfect BC3 monolayer to know whether these modifications can improve the strength of the interaction with AP drug. Based on the computations, the energy of adsorption for AP molecules on DV-BC3 and SV- BC3 surfaces were around −15.32 and –23.78 kcal/mol, respectively. The adsorption of AP caused a significant shift in band gap (above 31%) and work function (above 35%) values of DV-BC3 and SV-BC3, while the adsorption of AP on perfect BC3 only changed the bandgap but not the work function. In addition, the DV-BC3 was interacting significantly with AP drugs in different mediums with higher dielectric constants by the energy of adsorption range above −35 kcal/mol. Finally, the lower value of recovery time of about 769 ms shows that the AP drug was desorption easily from DV-BC3.

The Li ion transport behavior in the defect graphene composite Li3N SEI: a first-principle calculation

An artificial solid electrolyte interface (SEI) of a graphene composite lithium salt can inhibit the growth of dendrites by driving the lithium deposition behavior on the surface of the lithium metal anode. The first-principle method was used to calculate the graphene/lithium nitride SEI, including the structural form and stability of intrinsic (G-Li3N), single-vacancy defect (SVG-Li3N), and double-vacancy defect (DVG-Li3N) graphene heterostructure. The adsorption and migration behavior of lithium ions on the heterostructure surface and the interface were also calculated. This study showed that the modification of double-vacancy defect graphene improved the stability of the heterostructure, and the adhesion work of the composite SEI is the highest. The modification of defective graphene increases the adsorption energy of lithium atoms on the surface and interface of the heterostructure: the strongest adsorption of Li atoms on the single-vacancy defect region of the heterostructure, the opposition migration pathway of Li atoms on the surface and interface of the DVG-Li3N heterostructure, and the decrease diffusion energy of Li atoms on the surface and interface of the DVG-Li3N heterostructure. A composite layered SEI of graphene and Li3N was constructed to inhibit dendritic growth by adjusting the deposition behavior of lithium atoms.

Tunable electronic and magnetic properties of MoSi2N4 monolayer via vacancy defects, atomic adsorption and atomic doping

The two dimensional MoSi2N4 (MSN) monolayer exhibiting rich physical and chemical properties was synthesized for the first time last year. We have used the spin-polarized density functional theory to study the effect of different types of point defects on the structural, electronic, and magnetic properties of the MSN monolayer. Adsorbed, substitutionally doped (at different lattice sites), and some kind of vacancies have been considered as point defects. The computational results show all defects studied decrease the MSN monolayer band gap. We found out the H-, O-, and P-doped MSN are n-type conductors. The arsenic-doped MSN, and MSN with vacancy defects have a magnetic moment. The MSN with a Si vacancy defect is a half-metallic which is favorable for spintronic applications, while the MSN with a single N vacancy or double vacancy (N + S) defects are metallic, i.e., beneficial as spin filters and chemical sensors.

Interfacial Strengthening of Graphene/Aluminum Composites through Point Defects: A First-Principles Study.

The relationship between point defects and mechanical properties has not been fully understood yet from a theoretical perspective. This study systematically investigated how the Stone–Wales (SW) defect, the single vacancy (SV), and the double vacancy (DV) affect the mechanical properties of graphene/aluminum composites. The interfacial bonding energies containing the SW and DV defects were about twice that of the pristine graphene. Surprisingly, the interfacial bonding energy of the composites with single vacancy was almost four times that of without defect in graphene. These results indicate that point defects enhance the interfacial bonding strength significantly and thus improve the mechanical properties of graphene/aluminum composites, especially the SV defect. The differential charge density elucidates that the formation of strong Al–C covalent bonds at the defects is the most fundamental reason for improving the mechanical properties of graphene/aluminum composites. The theoretical research results show the defective graphene as the reinforcing phase is more promising to be used in the metal matrix composites, which will provide a novel design guideline for graphene reinforced metal matrix composites. Furthermore, the sp3-hybridized C dangling bonds increase the chemical activity of the SV graphene, making it possible for the SV graphene/aluminum composites to be used in the catalysis field.

Rectification, transport properties of doped defective graphene nanoribbon junctions

The transport properties and rectification behavior of junctions which contain armchair graphene nanoribbons (AGNRs) with double vacancy defects or nitrogen-doped in three different sizes of 9, 10 and 12 atoms are studied. The non-equilibrium Green function method and density functional based tight-binding approach are used for different computations. The double vacancy (DV) defects are along the direction of current pathways of graphene devices. We calculated transmission probability, density of states, the current–voltage curves, rectification ratio, and electrodes band structures. We found that I–V graph has nonlinear characteristic and displays rectification behavior. Devices which posses the size of 9 atoms show significant sign of rectification in contrast to other cases (10, 12 atoms). But the current value is more important for the device of 12 atoms size. Moreover, it is shown that extra energy bands are created by the DV defects and nitrogen (N) doped atoms. These bands of DV defects and N-doped cause the Fermi level to shift upwards and can change the behavior (n-type semiconductor, or metal-like) of devices of 9, 10 and 12 AGNRs. Also, various orbital distributions of MPSH (molecularly projected self-consistent Hamiltonian) states in the DV-9AGNR device are investigated.

Blue phosphorene nanosheets with point defects: Electronic structure and hydrogen storage capability

Presence of defects in two dimensional nanomaterial can lead to dramatic changes in their structural and electronic properties. Through ab-initio DFT computations, we study the electronic structure of semiconducting 2D elemental monolayers of blue phosphorene, with common point defects like Stone-Wales, single and double vacancies. The calculated formation energies of single and double vacancies in phosphorene are found to be lower compared to other well known 2D monolayers. Electronic structure of blue phosphorene shows a reduced band gap from that of the perfect lattice, and flat bands characterizing the defect states. We also investigate the suitability of defective blue phosphorene as a hydrogen storage template. We find that, like in the case of perfect phosphorene nanosheets, metal decoration of defective phosphorene can enhance the storage capacity for hydrogen molecules, with binding energies suitable for practical storage. Lithium decoration of the single and double vacancy defect at higher coverage can store a maximum of six to nine hydrogen molecules per defect, thus leading to a high gravimetric density of hydrogen. It is found that these structures are stable at room temperature. Comparing the storage capabilities of defective black and blue phosphorene, we find that defective blue phosphorene can store more hydrogen than black phosphorene.

Atomic Layers of Graphene for Microbial Corrosion Prevention.

Graphene is a promising material for many biointerface applications in engineering, medical, and life-science domains. Here, we explore the protection ability of graphene atomic layers to metals exposed to aggressive sulfate-reducing bacteria implicated in corrosion. Although the graphene layers on copper (Cu) surfaces did not prevent the bacterial attachment and biofilm growth, they effectively restricted the biogenic sulfide attack. Interestingly, single-layered graphene (SLG) worsened the biogenic sulfide attack by 5-fold compared to bare Cu. In contrast, multilayered graphene (MLG) on Cu restricted the attack by 10-fold and 1.4-fold compared to SLG-Cu and bare Cu, respectively. We combined experimental and computational studies to discern the anomalous behavior of SLG-Cu compared to MLG-Cu. We also report that MLG on Ni offers superior protection ability compared to SLG. Finally, we demonstrate the effect of defects, including double vacancy defects and grain boundaries on the protection ability of atomic graphene layers.

Potential-induced sonoelectrochemical graphene nanosheets with vacancies as hydrogen peroxide reduction catalysts and sensors

Defective graphene nanosheets (dGN4V) with 5-9, 5-8-5, and point defects were synthesised by a sonoelectrochemical method, where a potential of 4 V (vs. Ag/AgCl) was applied to drive the rapid intercalation of phosphate ions between the layers of the graphite foil as a working electrode. In addition to these vacancies, double vacancy defects were also created when the applied potential was increased to 8 V (dGN8V). The defect density of dGN8V (2406 μm−2) was higher than that of dGN4V (1786 μm−2). Additionally, dGN8V and dGN4V were applied as catalysts for the hydrogen peroxide reduction reaction (HPRR). The mass activity of dGN8V (1.31 × 10−2 mA·μg−1) was greater than that of dGN4V (1.17 × 10−2 mA·μg−1) because of its high electrochemical surface area (ECSA, 1250.89 m2·g−1) and defect density (ND, 2406 μm−2), leading to low charge transfer resistance on the electrocatalytic interface. The ECSA and ND of dGN4V were 502.7 m2·g−1 and 1786 μm−2, respectively. Apart from its remarkable HPRR activity, the cost-effective dGN8V catalyst also showed potential as an amperometric sensor for the determination of H2O2.