Recent Development of Metallic (1T) Phase of Molybdenum Disulfide for Energy Conversion and Storage

The development of a feasible and inexpensive strategy to obtain and utilize sustainable energy is an important issue for the sustainable development of human society. Over the past decade, significant progress has been made in the development of novel functional materials for energy conversion and storage. Owing to their unique physico‐chemical properties, 2D layered materials, such as graphene and transition metal dichalcogenides, have attracted great interest in energy‐related research. 1T‐MoS₂ is a metallic phase of molybdenum disulfide (MoS₂) with extraordinary electronic conductivity, enlarged interlayer spacing, and more electrochemically active sites along the basal plane, which offers intriguing benefits for energy‐related applications compared to its semiconducting counterpart (2H‐MoS₂). This review summarizes the preparation and structure–property relationships of 1T‐MoS₂, as well as the underlying relations between the metallic (1T) and semiconducting (2H) phases of MoS₂. Recent progress in the preparation and stabilization of 1T‐MoS₂ materials and their applications for energy conversion and storage are discussed, including water splitting to form hydrogen via photo/electrocatalysis and electricity storage in lithium‐ion batteries, sodium‐ion batteries, magnesium‐ion batteries, and supercapacitors. Optimization strategies of 1T‐MoS₂ to obtain enhanced practical properties based on theoretical calculations are also presented.     

Superior Energy‐Storage Capacitors with Simultaneously Giant Energy Density and Efficiency Using Nanodomain Engineered BiFeO3‐BaTiO3‐NaNbO3 Lead‐Free Bulk Ferroelectrics

Dielectric capacitors are receiving a great deal of attention for advanced pulsed power owing to their high power density and quick charge/discharge rate. However, the energy density is limited and the efficiency and the thermal stability are also not ideal, which has been a longstanding obstacle to developing desirable dielectric materials. These concerns have are addressed herein by fabricating nanodomain‐engineered BiFeO₃‐BaTiO₃‐NaNbO₃ bulk ferroelectrics, integrating a high‐spontaneous‐polarization gene, wide band gaps, and a heterogeneous nanodomain structure, generating record‐excellent comprehensive performance of giant energy‐storage density W_rec ≈8.12 J cm^?3, high efficiency η ≈90% and excellent thermal stability (±10%, ?50 to 250 °C) and ultrafast discharge rate (t_0.9 < 100 ns). Significantly enhanced dielectric breakdown strength of BiFeO₃‐based solid solutions is mainly attributed to the substitution of NaNbO₃, which provides an increased band gap, refined grain size, and increased resistivity. The formation of nanoscale domains as evidenced by piezoresponse force microscopy and transmission electron microscopy enables nearly hysteresis‐free polarization‐field response and temperature‐insensitive dielectric response. In comparison with antiferroelectric capacitors, the current work provides a new solution to successfully design next‐generation pulsed power capacitors by fully utilizing relaxor ferroelectrics in energy‐storage efficiency and thermal stability.     

A Cu‐Based Nanoparticulate Film as Super‐Active and Robust Catalyst Surpasses Pt for Electrochemical H2 Production from Neutral and Weak Acidic Aqueous Solutions

Electrocatalysts that are stable and highly active at low overpotential (η) under mild conditions as well as cost‐effective and scalable are eagerly desired for potential use in photo‐ and electro‐driven hydrogen evolution devices. Here the fabrication and characterization of a super‐active and robust Cu‐Cu_xO‐Pt nanoparticulate electrocatalyst is reported, which displays a small Tafel slope (44 mV dec^?1) and a large exchange current density (1.601 mA cm^?2) in neutral buffer solution. The catalytic current density of this catalyst film reaches 500 mA cm^?2 at η = ?390 ± 12 mV and 20 mA cm^?2 at η = ?45 ± 3 mV, which are significantly higher than the values displayed by Pt foil and Pt/C electrodes in neutral buffer solution and even comparable with the activity of Pt electrode in 0.5 m H₂SO₄ solution.     

Quantitative Analysis and Visualized Evidence for High Charge Separation Efficiency in a Solid‐Liquid Bulk Heterojunction

In the past few decades, some novel low‐cost nanostructured devices have been explored for converting solar energy into electrical or chemical energy, such as organic photovoltaic cells, photoelectrochemical solar cells, and solar water splitting cells. Generally, higher light absorption and/or charge separation efficiency are considered as the main reasons for improved performance in a nanostructured device versus a planar structure. However, quantitative analysis and definite experimental evidence remain elusive. Here, using BiVO₄ as an example, comparable samples with porous and dense structures have been prepared by a simple method. The porous and dense films are assembled into a solid‐electrolyte bulk and planar heterojunction, respectively. Some quantitative results are obtained by decoupling photon absorption, interfacial charge transfer, and charge separation processes. These results suggest that higher charge separation efficiency is mainly responsible for enhanced performance in a solid‐electrolyte bulk heterojunction. Moreover, we also present visualized evidence to show higher charge separation efficiency comes from a shorter photo‐generated hole diffusion distance in a bulk heterojunction. These results can deepen understanding charge transfer in a bulk heterojunction and offer guidance to design a more efficient low‐cost device for solar conversion and storage.     

Fatigue‐Free Aurivillius Phase Ferroelectric Thin Films with Ultrahigh Energy Storage Performance

Dielectric capacitors have become a key enabling technology for electronics and electrical systems. Although great strides have been made in the development of ferroelectric ceramic and thin films for capacitors, much less attention has been given to preventing polarization fatigue, while improving the energy density, of ferroelectrics. Here superior capacitive properties and outstanding stability are reported over 10⁷ charge/discharge cycles and a wide temperature range of ?60 to 200 °C of ferroelectric Aurivillius phase Bi_3.25La_0.75Ti₃O₁₂‐BiFeO₃ (BLT‐BFO), which represents one of the best capacitive performances recorded for the ferroelectric materials. The modification of BLT thin films with BFO overcomes the constraints of ferroelectric Aurivillius compounds and presents an unprecedented combination of the ideal features including improved polarization, reduced ferroelectric hysteresis, and lowered leakage current for high‐energy‐density capacitors. Given the lead‐free and fatigue‐free nature of this Aurivillius phase ferroelectric, this work unveils a new approach towards high‐performance eco‐friendly ferroelectric materials for electrical energy storage applications.     

Pseudomorphic Transformation of Interpenetrated Prussian Blue Analogs into Defective Nickel Iron Selenides for Enhanced Electrochemical and Photo‐Electrochemical Water Splitting

A significant methodology gap remains in the construction of advanced electrocatalysts, which has collaborative defective functionalities and structural coherence that maximizes electrochemical redox activity, electrical conductivity, and mass transport characteristics. Here, a coordinative self‐templated pseudomorphic transformation of an interpenetrated metal organic compound network is conceptualized into a defect‐rich porous framework that delivers highly reactive and durable photo(electro)chemical energy conversion functionalities. The coordinative‐template approach enables previously inaccessible synthesis routes to rationally accomplish an interconnected porous conductive network at the microscopic level, while exposing copious unsaturated reactive sites at the atomic level without electronic or structural integrity trade‐offs. Consequently, porous framework, interconnected motifs, and engineered defects endow remarkable electrocatalytic hydrogen evolution reaction and oxygen evolution reaction activity due to intrinsically improved turnover frequency, electrochemical surface area, and charge transfer. Moreover, when the hybrid is coupled with a silicon photocathode for solar‐driven water splitting, it enables photon assisted redox reactions, improved charge separation, and enhanced carrier transport via the built‐in heterojunction and additive co‐catalyst functionality, leading to a promising photo(electro)chemical hydrogen generation performance. This work signifies a viable and generic approach to prepare other functional interconnected metal organic coordinated compounds, which can be exploited for diverse energy storage, conversion, or environmental applications.     

Black Phosphorus Quantum Dot/Ti3C2 MXene Nanosheet Composites for Efficient Electrochemical Lithium/Sodium‐Ion Storage

The exploration of new and efficient energy storage mechanisms through nanostructured electrode design is crucial for the development of high‐performance rechargeable batteries. Herein, black phosphorus quantum dots (BPQDs) and Ti₃C₂ nanosheets (TNSs) are employed as battery and pseudocapacitive components, respectively, to construct BPQD/TNS composite anodes with a novel battery‐capacitive dual‐model energy storage (DMES) mechanism for lithium‐ion and sodium‐ion batteries. Specifically, as a battery‐type component, BPQDs anchored on the TNSs are endowed with improved conductivity and relieved stress upon cycling, enabling a high‐capacity and stable energy storage. Meanwhile, the pseudocapacitive TNS component with further atomic charge polarization induced by P? O? Ti interfacial bonds between the two components allows enhanced charge adsorption and efficient interfacial electron transfer, contributing a higher pseudocapacitive value and fast energy storage. The DMES mechanism is evidenced by substantial characterizations of X‐ray photoelectron spectroscopy and X‐ray absorption fine structure spectroscopy, density functional theory calculations, and kinetics analyses. Consequently, the composite electrode exhibits superior battery performance, especially for lithium storage, such as high capacity (910 mAh g^?1 at 100 mA g^?1), long cycling stability (2400 cycles with a capacity retention over 100%), and high rate capability, representing the best comprehensive battery performance in BP‐based anodes to date.     

Hierarchical Porous Carbonized Co3O4 Inverse Opals via Combined Block Copolymer and Colloid Templating as Bifunctional Electrocatalysts in Li–O2 Battery

Hierarchically organized porous carbonized‐Co₃O₄ inverse opal nanostructures (C‐Co₃O₄ IO) are synthesized via complementary colloid and block copolymer self‐assembly, where the triblock copolymer Pluronic P123 acts as the template and the carbon source. These highly ordered porous inverse opal nanostructures with high surface area display synergistic properties of high energy density and promising bifunctional electrocatalytic activity toward both the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). It is found that the as‐made C‐Co₃O₄ IO/Ketjen Black (KB) composite exhibits remarkably enhanced electrochemical performance, such as increased specific capacity (increase from 3591 to 6959 mA h g^?1), lower charge overpotential (by 284.4 mV), lower discharge overpotential (by 19.0 mV), and enhanced cyclability (about nine times higher than KB in charge cyclability) in Li–O₂ battery. An overall agreement is found with both C‐Co₃O₄ IO/KB and Co₃O₄ IO/KB in ORR and OER half‐cell tests using a rotating disk electrode. This enhanced catalytic performance is attributed to the porous structure with highly dispersed carbon moiety intact with the host Co₃O₄ catalyst.     

Microstructural and Electronic Origins of Open‐Circuit Voltage Tuning in Organic Solar Cells Based on Ternary Blends

Organic ternary heterojunction photovoltaic blends are sometimes observed to undergo a gradual evolution in open‐circuit voltage (V_oc) with increasing amounts of a second donor or an acceptor. The V_oc is strongly correlated with the energy of the charge transfer state in the blend, but this value depends on both local and mesoscopic orders. In this work, the behavior of V_oc in the presence of a wide range of interfacial electronic states is investigated. The key charge transfer state interfaces responsible for V_oc in several model systems with varying morphology are identified. Systems consisting of one donor with two fullerene molecules and of one acceptor with a donor polymer of varying regio‐regularity are used. The effects from the changing energetic disorder in the material and from the variation due to a law of simple mixtures are quantified. It has been found that populating the higher‐energy charge transfer states is not responsible for the observed change in V_oc upon the addition of a third component. Aggregating polymers and miscible fullerenes are compared, and it has been concluded that in both cases charge delocalization, aggregation, and local polarization effects shift the lowest‐energy charge transfer state distribution.     

The TiO2–Catechol Complex: Coupling Type II Sensitization with Efficient Catalysis of Water Oxidation

Two main requirements must be fulfilled in order to construct an efficient TiO₂‐based photo‐electrochemical water splitting cell. One is the expansion of the cell's spectral response, usually by the attachment of a sensitizing dye monolayer on the surface of the TiO₂. The second involves the incorporation of a water oxidation catalyst that reduces the overpotential for the oxygen evolution reaction. These requirements are often achieved by the co‐adsorption of both the dye and the catalyst on the TiO₂, or by a covalent attachment of the catalyst to the dye molecule. Here, the possibility to use a single material that acts as a sensitizer and a catalyst is presented. The use of a catechol molecule to form a type II charge transfer complex with TiO₂ widens the absorption of the system into the visible region. The TiO₂‐catechol complex is highly catalytic toward the oxidation of water to oxygen, reducing the electrocatalytic reaction overpotential by 500 mV compared to bare TiO₂. A suggested catalytic mechanism for the water oxidation reaction is described. This methodology opens a new path for type II charge transfer complexes to be utilized as catalysts/light absorbers in water splitting systems based on TiO₂ or other metal oxides.     

Thermodynamic Efficiency Limit of Molecular Donor‐Acceptor Solar Cells and its Application to Diindenoperylene/C60‐Based Planar Heterojunction Devices

In organic photovoltaic (PV) cells, the well‐established donor‐acceptor (D/A) concept enabling photo‐induced charge transfer between two partners with suitable energy level alignment has proven extremely successful. Nevertheless, the introduction of such a heterojunction is accompanied with additional energy losses as compared to an inorganic homojunction cell, owing to the presence of a charge‐transfer (CT) state at the D/A interface. Based on the principle of detailed balance, a modified Shockley‐Queisser theory is developed including the essential effects of interfacial CT states, that allows for a quantitative assessment of the thermodynamic efficiency limits of molecular D/A solar cells. Key parameters, apart from the optical gap of the absorber material, entering the model are the energy (E_CT) and relative absorption strength (α_CT) of the CT state. It is demonstrated how the open‐circuit voltage (V_OC) and thus the power conversion efficiency are affected by different parameter values. Furthermore, it is shown that temperature dependent device characteristics can serve to determine the CT energy, and thus the upper limit of V_OC for a given D/A combination, as well as to quantify non‐radiative recombination losses. The model is applied to diindenoperylene (DIP)‐based photovoltaic devices, with open‐circuit voltages between 0.9 and 1.4 V, depending on the partner, that have recently been reported.     

Toward Promising Cathode Catalysts for Nonlithium Metal–Oxygen Batteries

The success of Li–air/O₂ batteries has brought extensive attention to the development of various promising non‐Li metal–O₂ batteries, such as Zn–O₂, Al–O₂, Mg–O₂ batteries, etc., which have exhibited unique advantages, such as low production cost, high energy density, and much enhanced safety. The versatile non‐Li metal–O₂ batteries provide a better opportunity for meeting the practical requirements for sustainable energy supplies in various applications. A high‐performance cathode in non‐Li metal–O₂ batteries that can effectively trigger both oxygen reduction and evolution reactions and thus boost the overall battery performance is of great research interest. In this article, a comprehensive review on the development of Li‐free metal–O₂ batteries and particularly focusing on the oxygen catalytic cathodes for both primary and secondary non‐Li metal–O₂ batteries is carefully performed. The current challenges and potential solutions are also outlined and proposed. Through carefully selecting and rationally designing promising catalytic cathodes, a series of non‐Li metal–oxygen batteries toward practical energy storage applications are highly anticipated.     

Recent Advances and Emerging Trends in Photo‐Electrochemical Solar Energy Conversion

Photo‐electrochemical (PEC) solar energy conversion offers the promise of low‐cost renewable fuel generation from abundant sunlight and water. In this Review, recent developments in photo‐electrochemical water splitting are discussed with respect to this promise. State‐of‐the‐art photo‐electrochemical device performance is put in context with the current understanding of the necessary requirements for cost‐effective solar hydrogen generation (in terms of solar‐to‐hydrogen conversion efficiency and system durability, in particular). Several important studies of photo‐electrochemical hydrogen generation at p‐type photocathodes are highlighted, mostly with protection layers (for enhanced durability), but also a few recent examples where protective layers are not needed. Recent work with the widely studied n‐type BiVO₄ photoanode is detailed, which highlights the needs and necessities for the next big photoanode material yet to be discovered. The emerging new research direction of photo‐electrocatalytic upgrading of biomass substrates toward value‐added chemicals is then discussed, before closing with a commentary on how research on PEC materials remains a worthwhile endeavor.     

(040)‐Crystal Facet Engineering of BiVO4 Plate Photoanodes for Solar Fuel Production

A (040)‐crystal facet engineered BiVO₄ ((040)‐BVO) photoanode is investigated for solar fuel production. The (040)‐BVO photoanode is favorable for improved charge carrier mobility and high photocatalytic active sites for solar light energy conversion. This crystal facet design of the (040)‐BVO photoanode leads to an increase in the energy conversion efficiency for solar fuel production and an enhancement of the oxygen evolution rate. The photocurrent density of the (040)‐BVO photoanode is determined to be 0.94 mA cm^?2 under AM 1.5 G illumination and produces 42.1% of the absorbed photon‐to‐current conversion efficiency at 1.23 V (vs RHE, reversible hydrogen electrode). The enhanced charge separation efficiency and improved charge injection efficiency driven by (040) facet can produce hydrogen with 0.02 mmol h^?1 at 1.23 V. The correlation between the (040)‐BVO photoanode and the solar fuel production is investigated. The results provide a promising approach for the development of solar fuel production using a BiVO₄ photoanode.     

Polymer Nanocomposites with Interpenetrating Gradient Structure Exhibiting Ultrahigh Discharge Efficiency and Energy Density

Poly(vinylidene fluoride) (PVDF) based polymer nanocomposites with high‐permittivity nanofillers exhibit outstanding dielectric energy storage performance due to their high dielectric permittivities and breakdown strength. However, their discharge efficiency is relatively low (usually lower than 70%), which limits their practical applications. Here, polymer nanocomposites with a novel interpenetrating gradient structure are designed and demonstrated by cofilling a PVDF matrix with barium zirconate titanate nanofibers and hexagonal boron nitride nanosheets via modified nonequilibrium processing. The interpenetrating gradient structure is highly effective in breaking the trade‐off between discharge energy density and efficiency of the corresponding nanocomposite, as indicated by the concomitantly enhanced discharge energy density (U _e ≈ 23.4 J cm^?3) and discharge efficiency (η ≈ 83%). The superior performance is primarily attributed to the rational distribution of nanofillers in the polymer matrix, which raises the height of the potential barrier for charge injection at the dielectric/electrode interface, suppresses electric conduction and contributes to enhanced apparent breakdown strength. Meanwhile, the gradient configuration allows higher volume fraction of high‐permittivity nanofillers without compromising the breakdown strength, leading to higher electric polarization compared with the random configuration. This work provides new opportunities to PVDF‐based polymer nanocomposites with high energy density and discharge efficiency for capacitive energy storage applications.     

Surface‐Plasmon‐Assisted Photoelectrochemical Reduction of CO2 and NO3− on Nanostructured Silver Electrodes

Electrochemical reduction of carbon dioxide (CO₂) typically suffers from low selectivity and poor reaction rates that necessitate high overpotentials, which impede its possible application for CO₂ capture, sequestration, or carbon‐based fuel production. New strategies to address these issues include the utilization of photoexcited charge carriers to overcome activation barriers for reactions that produce desirable products. This study demonstrates surface‐plasmon‐enhanced photoelectrochemical reduction of CO₂ and nitrate (NO₃^?) on silver nanostructured electrodes. The observed photocurrent likely originates from a resonant charge transfer between the photogenerated plasmonic hot electrons and the lowest unoccupied molecular orbital (MO) acceptor energy levels of adsorbed CO₂, NO₃^?, or their reductive intermediates. The observed differences in the resonant effects at the Ag electrode with respect to electrode potential and photon energy for CO₂ versus NO₃^? reduction suggest that plasmonic hot‐carriers interact selectively with specific MO acceptor energy levels of adsorbed surface species such as CO₂, NO₃^?, or their reductive intermediates. This unique plasmon‐assisted charge generation and transfer mechanism can be used to increase yield, efficiency, and selectivity of various photoelectrochemical processes.     

Earth‐Rich Transition Metal Phosphide for Energy Conversion and Storage

Low‐cost and resourceful transition metal phosphides (TMPs) have gradually received wide acceptance in the energy industry through exhibiting comparable catalytic activity and long‐term stability to traditional catalysts (e.g., Pt/C, LiCoO₂, LiFePO₄, etc.). With the emergence of the research hotspot of TMPs, probing their mechanism of catalytic energy conversion and storage inspired by the superb structure of metal‐phosphorus chelate is of great significance. To this end, recent developments in TMPs with various crystal structures and morphologies have attracted much attention. The design of TMPs ranging from the choice of different transition metals to phosphorus sources has been intensively explored. This research has indicated that multidimensional morphologies of TMPs prominently enrich the patterns of charge storage and electron transportation, and ultra‐nanoscaled TMPs obtained by multiple tools and techniques might challenge the threshold of electrocatalytic reactions. Here, recent developments in synthetic strategies of TMPs from different precursors are classified. The underlying mechanism between the structural and crystallographic characteristics and the tuned properties of TMPs in energy applications is also presented. Additionally, the key trends in structure and morphology characterization of TMPs are highlighted. Future perspectives on the challenges and opportunities facing TMPs catalysts are thereby proposed.     

Facile and Efficient Atomic Hydrogenation Enabled Black TiO2 with Enhanced Photo‐Electrochemical Activity via a Favorably Low‐Energy‐Barrier Pathway

Black TiO₂ has demonstrated a great potential for a variety of renewable energy technologies. However, its practical application is heavily hindered due to lack of efficient hydrogenation methods and a deeper understanding of hydrogenation mechanisms. Here, a simple and straightforward hot wire annealing (HWA) method is presented to prepare black TiO₂ (H–TiO₂) nanorods with enhanced photo‐electrochemical (PEC) activity by means of atomic hydrogen [H]. Compared to conventional molecular hydrogen approaches, the HWA shows remarkable effectiveness without any detrimental side effects on the device structure, and simultaneously the photocurrent density of H–TiO₂ reaches 2.5 mA cm^?2 (at 1.23 V vs reversible hydrogen electrode (RHE)). Due to the controllable and reproducible [H] flux, the HWA can be developed as a standard hydrogenation method for black TiO₂. Meanwhile, the relationships between the wire temperatures, structural, optical, and photo‐electrochemical properties are systematically investigated to verify the improved PEC activity. Furthermore, the density functional theory (DFT) study provides a comprehensive insight not only into the highly efficient mechanism of the HWA approach but also its favorably low‐energy‐barrier hydrogenation pathway. The findings will have a profound impact on the broad energy applications of H–TiO₂ and contribute to the fundamental understanding of its hydrogenation.     

In Situ,Fast, High‐Temperature Synthesis of Nickel Nanoparticles in Reduced Graphene Oxide Matrix

For the first time, a fast heating–cooling process is reported for the synthesis of carbon‐coated nickel (Ni) nanoparticles on a reduced graphene oxide (RGO) matrix (nano‐Ni@C/RGO) as a high‐performance H₂O₂ fuel catalyst. The Joule heating temperature can reach up to ≈2400 K and the heating time can be less than 0.1 s. Ni microparticles with an average diameter of 2 µm can be directly converted into nanoparticles with an average diameter of 75 nm. The Ni nanoparticles embedded in RGO are evaluated for electro‐oxidation performance as a H₂O₂ fuel in a direct peroxide–peroxide fuel cell, which exhibits an electro‐oxidation current density of 602 mA cm^?2 at 0.2 V (vs Ag/AgCl), ≈150 times higher than the original Ni microparticles embedded in the RGO matrix (micro‐Ni/RGO). The high‐temperature, fast Joule heating process also leads to a 4–5 nm conformal carbon coating on the surface of the Ni nanoparticles, which anchors them to the RGO nanosheets and leads to an excellent catalytic stability. The newly developed nano‐Ni@C/RGO composites by Joule heating hold great promise for a range of emerging energy applications, including the advanced anode materials of fuel cells.     

Impact of Fullerene on the Photophysics of Ternary Small Molecule Organic Solar Cells

Ternary organic solar cells (OSCs) are among the best‐performing organic photovoltaic devices to date, largely due to the recent development of nonfullerene acceptors. However, fullerene molecules still play an important role in ternary OSC systems, since, for reasons not well understood, they often improve the device performance, despite their lack of absorption. Here, the photophysics of a prototypical ternary small‐molecule OSC blend composed of the donor DR3, the nonfullerene acceptor ICC6, and the fullerene derivative PC₇₁BM is studied by ultrafast spectroscopy. Surprisingly, it is found that after excitation of PC₇₁BM, ultrafast singlet energy transfer to ICC6 competes efficiently with charge transfer. Subsequently, singlets on ICC6 undergo hole transfer to DR3, resulting in free charge generation. Interestingly, PC₇₁BM improves indirectly the electron mobility of the ternary blend, while electrons reside predominantly in ICC6 domains as indicated by fast spectroscopy. The improved mobility facilitates charge carrier extraction, in turn leading to higher device efficiencies of the ternary compared to binary solar cells. Using the (photo)physical parameters obtained from (transient) spectroscopy and charge transport measurements, the device's current–voltage characteristics are simulated and it is demonstrated that the parameters accurately reproduce the experimentally measured device performance.