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At least 73 records · Page 4

Theoretical Investigation of Delafossite-Cu 2 ZnSnO 4 as a Promising Photovoltaic Absorber

In the quest for efficient and cost-effective photovoltaic absorber materials beyond silicon, considerable attention has been directed toward exploring alternatives. One such material, zincblende-derived Cu2ZnSnS4 (CZTS), has shown promise due to its ideal band gap size and high absorption coefficient. However, challenges such as structural defects and secondary phase formation have hindered its development. In this study, we examine the potential of another compound, Cu2ZnSnO4 (CZTO), with a similar composition to CZTS as a promising alternative. Employing ab initio density function theory (DFT) calculations in combination with an evolutionary structure prediction algorithm, we identify that the crystalline phase of delafossite structure is the most stable among the 900 (meta)stable CZTO. Its thermodynamic stability at room temperature is also confirmed by the molecular dynamics study. Excitingly, this new phase of CZTO displays a direct band gap where the dipole-allowed transition occurs, making it a strong candidate for efficient light absorptions. Furthermore, the estimation of spectroscopic limited maximum efficiency (SLME) directly demonstrates the high potential of delafossite-CZTO as a photovoltaic absorber. Our numerical results suggest that delafossite-CZTO holds promise for future photovoltaic applications.

14 SOLAR ENERGY↗

Spin Solar Cell Phenomenon on a Single-Molecule Magnet (SMM) Impacted CoFeB-Based Magnetic Tunnel Junctions

The single-molecule magnet (SMM) is demonstrated here to transform conventional magnetic tunnel junctions (MTJs), a memory device used in present-day computers, into solar cells. For the first time, we demonstrated an electronic spin-dependent solar cell effect on an SMM-transformed MTJ under illumination from unpolarized white light. We patterned cross-junction-shaped devices to form a CoFeB/MgO/CoFeB-based MTJ. The MgO barrier thickness at the intersection between the two exposed junction edges was less than the SMM extent, which enabled the SMM molecules to serve as channels to conduct spin-dependent transport. The SMM channels yielded a region of long-range magnetic ordering around these engineered molecular junctions. Our SMM possessed a hexanuclear [Mn 6 (μ 3 -O) 2 (H 2 N-sao) 6 (6-atha) 2 (EtOH) 6 ] [H 2 N-saoH = salicylamidoxime, 6-atha = 6-acetylthiohexanoate] complex and thioesters end groups to form bonds with metal films. SMM-doped MTJs were shown to exhibit a solar cell effect and yielded ≈80 mV open-circuit voltage and ≈10 mA/cm 2 saturation current density under illumination from one sun equivalent radiation dose. A room-temperature Kelvin Probe AFM (KPAFM) study provided direct evidence that the SMM transformed the electronic properties of the MTJ’s electrodes over a lateral area in excess of several thousand times larger in extent than the area spanned by the molecular junctions themselves. As a result, the decisive factor in observing this spin-photovoltaic effect is the formation of SMM spin channels between the two different ferromagnetic electrodes, which in turn is able to catalyze the long-range transformation in each electrode around the junction area.

14 SOLAR ENERGY↗

Phonon-Assisted Ballistic Current from First-Principles Calculations

The bulk photovoltaic effect (BPVE) refers to current generation due to illumination by light in a homogeneous bulk material lacking inversion symmetry. In addition to the intensively studied shift current, the ballistic current, which originates from asymmetric carrier generation due to scattering processes, also constitutes an important contribution to the overall kinetic model of the BPVE. In this Letter, we use a perturbative approach to derive a formula for the ballistic current resulting from the intrinsic electron-phonon scattering in a form amenable to first-principles calculation. We then implement the theory and calculate the ballistic current of the prototypical BPVE material BaTiO 3 using quantum-mechanical density functional theory. The magnitude of the ballistic current is comparable to that of the shift current, and the total spectrum (shift plus ballistic) agrees well with the experimentally measured photocurrents. Furthermore, we show that the ballistic current is sensitive to structural change, which could benefit future photovoltaic materials design.

14 SOLAR ENERGY↗

Layer and material-type dependent photoresponse in Se 2 /WS 2 vertical heterostructures

Transition metal dichalcogenide (TMD) heterostructures are promising for a variety of applications in photovoltaics and photosensing. Successfully exploiting these heterostructures will require an understanding of their layer-dependent electronic structures. However, there is no experimental data demonstrating the layer-number dependence of photovoltaic effects (PVEs) in vertical TMD heterojunctions. Here, by combining scanning electrochemical cell microscopy (SECCM) with optical probes, we report the first layer-dependence of photocurrents in WSe 2 /WS 2 vertical heterostructures as well as in pristine WS 2 and WSe 2 layers. For WS 2 , we find that photocurrents increase with increasing layer thickness, whereas for WSe 2 the layer dependence is more complex and depends on both the layer number and applied bias (V b ). Further, we find that photocurrents in the WSe 2 /WS 2 heterostructures exhibit anomalous layer and material-type dependent behaviors. Our results advance the understanding of photoresponse in atomically thin WSe 2 /WS 2 heterostructures and pave the way to novel nanoelectronic and optoelectronic devices.

36 MATERIALS SCIENCE↗

Simulation analysis of a novel high efficiency silicon solar cell

It is recognized that crystalline silicon photovoltaic module efficiency of 15 percent or more is required for cost-effective photovoltaic energy utilization. This level of module efficiency requires large-area encapsulated production cell efficiencies in the range of 18 to 20 percent. Though the theoretical maximum of silicon solar cell efficiency for an idealized case is estimated to be around 30 percent, practical performance of cells to-date are considerably below this limit. This is understood to be largely a consequence of minority carrier losses in the bulk as well as at all surfaces including those under the metal contacts. In this paper a novel device design with special features to reduce bulk and surface recombination losses is evaluated using numerical analysis technique. Details of the numerical model, cell design, and analysis results are presented.

Mokashi, Anant R.↗

Towards Decarbonization: Establishing a Sustainable, Equitable, Diverse Workforce in the U.S. Photovoltaic Industry

Decarbonizing the U.S. electric grid by 2035 and the broader U.S. economy by 2050 have been identified as targets to avoid more severe climate change effects. Photovoltaics (PV) is expected to play a major role in any decarbonization efforts, and this would involve significant expansion and development of the PV workforce. This work quantifies the size of the workforce required for high levels of PV deployment that could achieve decarbonization. The demographics of the current workforce are reviewed, and existing workforce development initiatives are reviewed with respect to the magnitude needed for decarbonization, with a focus on equity and diversity.

decarbonization↗

Organic solar cell exploratory research

Principles governing the photovoltaic effect in organic materials on the molecular level are studied and applied to the design and fabrication of laboratory devices having a photovoltaic organic polymer film as their key element. Progress to date has been in three areas: (1) materials synthesis; (2) apparatus development; and (3) ultra-thin film fabrication.

Yalenty, S. J.↗

Colloquium : Physical properties of group-IV monochalcogenide monolayers

The state-of-the-art knowledge of ferroelectric and ferroelastic group-IV monochalcogenide monolayers is surveyed. These semiconductors feature remarkable structural and mechanical properties, such as a switchable in-plane spontaneous polarization, soft elastic constants, structural degeneracies, and thermally driven two-dimensional structural transformations. Additionally, these 2D materials display selective valley excitations, valley Hall effects, and persistent spin helix behavior. After a description of their Raman spectra, a discussion of optical properties arising from their lack of centrosymmetry (such as an unusually strong second-harmonic intensity, large bulk photovoltaic effects, photostriction, and tunable exciton binding energies) is provided as well. Here, the physical properties observed in these materials originate from (correlate with) their intrinsic and switchable electric polarization, and the physical behavior hereby reviewed could be of use in nonvolatile memory, valleytronic, spintronic, and optoelectronic devices: these 2D multiferroics enrich and diversify the 2D material toolbox.

2D ferroelectrics↗

Photovoltaic properties of ferroelectric BaTiO3 thin films RF sputter deposited on silicon

Ferroelectric thin films of BaTiO3 have been successfully deposited on n-type silicon substrates at temperatures above 500 C by RF sputtering in an O2/Ar atmosphere. Analysis by X-ray diffraction patterns show that films deposited at room temperature are amorphous. At temperatures above 500 C, crystalline BaTiO3 films with a tetragonal structure are obtained. The polarization-electric field (P-E) hysteresis loops and a broad peak in the dielectric constant versus temperature curve at Curie point indicate that the RF sputtered BaTiO3 films are ferroelectric. An anomalous photovoltaic effect is observed in these thin films which is related to the remanent polarization of the material. The results on open-circuit and short-circuit measurements provide an important basis for a better understanding of the role of photovoltaic field, photovoltaic current, and the pyroelectric properties in photoferroelectric domain switching.

Dharmadhikari, V. S.↗

Giant exciton-enhanced shift currents and direct current conduction with subbandgap photo excitations produced by many-electron interactions

Significance Shift current, a bulk photovoltaic effect, arises from nonlinear light–matter interaction in a noncentrosymmetric crystal under continuous wave illumination. Although it is a promising mechanism for photocurrent generation without p–n junctions, the short-circuit current (which is related to the power efficiency of a solar cell device) is usually low. It is therefore important to understand the physics of the phenomenon and find materials with strong shift current conductivity. We calculate the shift current conductivity including excitonic effects in a real material (monolayer GeS) from first principles. We show that electron–hole interactions can dramatically enhance and qualitatively change shift current in reduced-dimensional materials. Our results indicate low-dimensional materials are promising candidates for next-generation photovoltaic devices with high efficiencies.

Chan, Yang-Hao↗

Optimizing 2D passivation for enhancing performance of fully air-processed carbon electrode-based perovskite solar cells

Air-processed carbon-based perovskite solar cells (C-PSCs) offer scalable and cost-effective photovoltaic manufacturing but face efficiency loss compared to metal-contact perovskite solar cells. Surface passivation of three-dimensional (3D) perovskites with two-dimensional (2D) perovskite layers has emerged as a promising strategy to enhance device performance. However, the mechanisms by which 2D perovskites more effectively improve C-PSC efficiency and stability remain underexplored. This study investigates the efficacy of 2D/3D heterostructures using n-hexylammonium bromide (C6Br), phenethylammonium iodide (PEAI), and n-octylammonium iodide (OAI) as surface passivators for C-PSCs. C-PSCs treated with C 6 Br achieved a champion power conversion efficiency (PCE) of 21.0%. This enhancement is attributed to superior defect passivation, improved charge extraction, and suppressed non-radiative recombination. Transient ion-drift characterization demonstrates that C 6 Br and OAI reduce ionic conductivity by 2–3 orders of magnitude, correlating with enhanced operational stability under continuous illumination. Our findings highlight the role of short-chain bromide cations (C 6 Br) in optimizing halide-mediated defect healing and interfacial band alignment, positioning 2D-passivated C-PSCs as viable competitors to conventional metal-contact perovskite solar cells.

14 SOLAR ENERGY↗

Do photovoltaics have a future

There is major concern as to the economic practicality of widespread terrestrial use because of the high cost of the photovoltaic arrays themselves. Based on their high efficiency, photovoltaic collectors should be one of the cheapest forms of energy generators known. Present photovoltaic panels are violating the trend of lower costs with increasing efficiency due to their reliance on expensive materials. A medium technology solution should provide electricity competitive with the existing medium to high technology energy generators such as oil, coal, gas, and nuclear fission thermal plants. Programs to reduce the cost of silicon and develop reliable thin film materials have a realistic chance of producing cost effective photovoltaic panels.

Williams, B. F.↗

Ballistic photocurrent driven by optical phonon modes in a polaronic ferroelectric

In this study, we investigate the effect of local electron-phonon coupling on nonlinear optical conductivity in an interacting ferroelectric system. Using real-time simulations, we show an enhancement in nonlinear conductivity under linearly polarized light due to generation of the phonon-assisted ballistic current in addition to the injection current generated by electron-hole pairs. The optically excited phonon modes generate an asymmetric carrier distribution that causes a strong directional ballistic current. The ballistic current enhances the photocurrent several times at above band-gap excitation frequencies and is sublinearly dependent on the excitation intensity. This strong phonon-assisted zero-frequency directional ballistic current demonstrates an alternative way to boost the bulk photovoltaic effect (BPVE) in electronic ferroelectric materials with strong local electron-phonon coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Thermophotovoltaic efficiency of 40%

Thermophotovoltaics (TPVs) convert predominantly infrared wavelength light to electricity via the photovoltaic effect, and can enable approaches to energy storage and conversion that use higher temperature heat sources than the turbines that are ubiquitous in electricity production today. Since the first demonstration of 29% efficient TPVs (Fig. 1a) using an integrated back surface reflector and a tungsten emitter at 2,000°C (ref. 10), TPV fabrication and performance have improved. However, despite predictions that TPV efficiencies can exceed 50%, the demonstrated efficiencies are still only as high as 32%, albeit at much lower temperatures below 1,300 C (refs. 13,14,15). Here we report the fabrication and measurement of TPV cells with efficiencies of more than 40% and experimentally demonstrate the efficiency of high-bandgap tandem TPV cells. The TPV cells are two-junction devices comprising III–V materials with bandgaps between 1.0 and 1.4 eV that are optimized for emitter temperatures of 1,900–2,400°C. The cells exploit the concept of band-edge spectral filtering to obtain high efficiency, using highly reflective back surface reflectors to reject unusable sub-bandgap radiation back to the emitter. A 1.4/1.2 eV device reached a maximum efficiency of (41.1 ± 1)% operating at a power density of 2.39 W cm –2 and an emitter temperature of 2,400°C. A 1.2/1.0 eV device reached a maximum efficiency of (39.3 ± 1)% operating at a power density of 1.8 W cm–2 and an emitter temperature of 2,127°C. These cells can be integrated into a TPV system for thermal energy grid storage to enable dispatchable renewable energy. This creates a pathway for thermal energy grid storage to reach sufficiently high efficiency and sufficiently low cost to enable decarbonization of the electricity grid.

14 SOLAR ENERGY↗

Roadmap on energy harvesting materials

Ambient energy harvesting has great potential to contribute to sustainable development and address growing environmental challenges. Converting waste energy from energy-intensive processes and systems (e.g. combustion engines and furnaces) is crucial to reducing their environmental impact and achieving net-zero emissions. Compact energy harvesters will also be key to powering the exponentially growing smart devices ecosystem that is part of the Internet of Things, thus enabling futuristic applications that can improve our quality of life (e.g. smart homes, smart cities, smart manufacturing, and smart healthcare). To achieve these goals, innovative materials are needed to efficiently convert ambient energy into electricity through various physical mechanisms, such as the photovoltaic effect, thermoelectricity, piezoelectricity, triboelectricity, and radiofrequency wireless power transfer. By bringing together the perspectives of experts in various types of energy harvesting materials, this Roadmap provides extensive insights into recent advances and present challenges in the field. Additionally, the Roadmap analyses the key performance metrics of these technologies in relation to their ultimate energy conversion limits. Building on these insights, the Roadmap outlines promising directions for future research to fully harness the potential of energy harvesting materials for green energy anytime, anywhere.

14 SOLAR ENERGY↗

Effect of heterostructure engineering on electronic structure and transport properties of two-dimensional halide perovskites

Organic-inorganic halide perovskite solar cells have attracted much attention due to their low-cost fabrication, flexibility, and high-power conversion efficiency. More recent efforts show that the reduction from three- to two-dimensions (2D) of organic–inorganic halide perovskites promises an exciting opportunity to tune their electronic properties. Here, we explore the effect of reduced dimensionality and heterostructure engineering on the intrinsic material properties, such as energy stability, bandgap and transport properties of 2D hybrid organic–inorganic halide perovskites using first-principles density functional theory. We show that the energy stability of engineered perovskite heterostructures is significantly enhanced. The heterostructures with improved stability also show excellent transport properties similar to their bulk counterparts. Furthermore, these layered chemistries demonstrate the advantage of a broad range of tunable bandgaps and high-absorption coefficient in the visible spectrum. The proposed 2D heterostructured material holds potential for nano-optoelectronic devices as well as for effective photovoltaics.

36 MATERIALS SCIENCE↗