Chloride Treatments Improve Zinc Telluride Absorbers for Photoelectrochemical Carbon Dioxide Reduction
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36 MATERIALS SCIENCE↗
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Results for “absorber”
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PCA and PLS Analysis of Lanthanides Using Absorbance and Single-Beam Visible Spectra
Not Available
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Poly(cyclosilane) Connectivity Tunes Optical Absorbance
We report herein the influence of skeletal connectivity on the conformation-dependent optical properties of cyclosilane homo- and copolymers. 1,3-Linked cyclosilanes were bathochromically shifted by 20 nm in solution relative to 1,4-linked cyclosilanes, an effect reproduced by quantum chemical calculations on oligomeric model systems. Polysilane optical properties are conformation-dependent, and 1,3-linked cyclosilanes were hypothesized to adopt a favorable conformation unavailable to 1,4-linked cyclosilanes constrained to an endocyclic gauche conformation. Copolymerization of the isomeric cyclosilanes 1,3Si 6 and 1,4Si 6 afforded linear statistical copolymers, as characterized by 1 H and 29 Si NMR spectroscopies. The distinct connectivity of each comonomer was found to give rise to tunable absorption spectra, where the position of the absorption band systematically increased with the increased corporation of 1,3Si 6 . Computational studies pointed to conformation-dependent changes in orbital symmetry in shifting the most intense transition from the low-energy highest occupied molecular orbital (HOMO) → lowest unoccupied molecular orbital (LUMO) transition to a higher-energy HOMO → LUMO + n transition. Here, the results of these studies demonstrate for the first time the role of silicon skeletal connectivity in controlling conformation and optoelectronic properties and provide new insight into the structure-based design of solution-processable silicon-based polymeric materials.
36 MATERIALS SCIENCE↗
Mitigating Band Tailing in Kesterite Solar Absorbers: Ab Initio Quantum Dynamics
Open-circuit voltage deficits are limiting factors in kesterite solar cells. Addressing this issue by suppressing band tailing and nonradiative charge recombination is essential for enhancing the performance. We employ ab initio nonadiabatic molecular dynamics to elucidate the origin of band tailing and charge losses and propose a mitigation strategy. The simulations show that Cu–Zn disorder, associated with antisite defect clusters [Cu Zn +Zn Cu ], is a significant source of band tailing in kesterites, as evidenced by the much larger Urbach energy in disordered than ordered kesterites. Cu–Zn disorder gives rise to new sulfur-centered coordination polyhedra, increases structural inhomogeneity, changes electrostatic potential at sulfur centers, and shifts the S(3p) orbital energy. Differences in the S(3p)/Cu(3d) and S(3p)/Sn(5s) hybridization strengths and the S(3p) orbital energy shift reduce the band gap by 0.37 eV. Furthermore, Cu–Zn disorder enhances vibrational motion of sulfur anions and surrounding cations, increasing band gap fluctuations by 15 meV. The stronger electron–phonon interactions reduce charge carrier lifetimes and limit the kesterite solar cell efficiency. Partial substitution of Zn with Cd facilitates structural ordering and significantly suppresses band tailing, particularly in disordered systems. The improvement can be attributed to the larger atomic radius and mass of Cd, which weakens bonding around the anion, suppresses S-related vibrations within the covalent tetrahedra, and reduces nonadiabatic coupling, thereby increasing charge carrier lifetimes. The reported results establish the key influence of cation disorder on band tailing and reduced charge carrier lifetimes in kesterites and highlight cation disorder engineering as a strategy to achieve high-efficiency kesterite solar cells.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Biomass burning aerosols in most climate models are too absorbing
Uncertainty in the representation of biomass burning (BB) aerosol composition and optical properties in climate models contributes to a range in modeled aerosol effects on incoming solar radiation. Depending on the model, the top-of-the-atmosphere BB aerosol effect can range from cooling to warming. By relating aerosol absorption relative to extinction and carbonaceous aerosol composition from 12 observational datasets to nine state-of-the-art Earth system models/chemical transport models, we identify varying degrees of overestimation in BB aerosol absorptivity by these models. Modifications to BB aerosol refractive index, size, and mixing state improve the Community Atmosphere Model version 5 (CAM5) agreement with observations, leading to a global change in BB direct radiative effect of -0.07 W m -2 , and regional changes of -2 W m -2 (Africa) and -0.5 W m -2 (South America/Temperate). Our findings suggest that current modeled BB contributes less to warming than previously thought, largely due to treatments of aerosol mixing state.
54 ENVIRONMENTAL SCIENCES↗
Mix and match light absorbers
Here, perovskite and organic semiconductors can be combined to make tandem solar cells but, to date, their efficiency has hovered around 20%. Now, researchers demonstrate a 23.6% tandem by reducing interfacial defects to improve the perovskite cell's voltage and developing an ultrathin interconnection layer.
14 SOLAR ENERGY↗
Constraining the impact of chlorine as a neutron absorber in next-gen fast reactor designs
The role of chlorine as a neutron poison and as a seed for producing radioactive waste in nuclear systems has driven a renewed interest to improve its nuclear data uncertainties. Additionally, basic and applied science programs that use CLYC (Cs 2 LiYCl 6 :Ce) detectors for neutron spectroscopy and monitoring are also very sensitive to any change in chlorine nuclear data for simulations of the detector response. In this work, sensitivities relevant for these different applications are addressed through simulations of the efficiency of CLYC detectors in a fast fission spectrum when applying new chlorine nuclear data as input. These simulations are validated by an experimental measurement using CLYC detectors coupled to an ionization chamber loaded with a 252 Cf spontaneous fission source. The results are then used to obtain the first reliable direct measurement of the 35 Cl(n,p 0 ) and summed Cl(n,p+n,α) fission spectrum average cross sections, found to be 54.7(32) and 105.0(98) mb, respectively. The results are within uncertainty of calculated fission spectrum averaged cross sections based on recently re-evaluated chlorine nuclear data, which confirm recent impact studies performed for the Molten Chloride Reactor Experiment. Meanwhile, there currently exists only one published criticality benchmark experiment that is sufficiently sensitive to chlorine nuclear data. Discrepancies are found with this set of criticality safety benchmarks, which are more sensitive to thermal and epithermal neutron energies than the energies, above 100 keV, tested in this current work. Hence, there is still a need to re-evaluate the chlorine nuclear data at lower energies to assess these discrepancies. Interpretation of the data from future “faster” criticality benchmarks, which are needed for next-gen fast reactor designs, benefit from the improved constraints on the chlorine nuclear data validated in this work.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Performance and limits of 2.0 eV bandgap CuInGaS 2 solar absorber integrated with CdS buffer on F:SnO 2 substrate for multijunction photovoltaic and photoelectrochemical water splitting devices
Photocurrent density in excess of 10 mA cm −2 reported on 2.0 eV CuInGaS 2 solar cells integrated on SnO 2 :F substrates, yet new wide bandgap n-type buffers required to achieve higher photoconversion efficiency.
08 HYDROGEN↗
Multinary light absorbing semiconductor nanocrystals with diversified electronic and optical properties
We report multinary CuZn 2 AS x Se 4− x semiconductor nanocrystals in a wurtzite phase, achieved via hot-injection synthesis.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Reliability-based hull geometry optimisation of a point-absorber wave energy converter with power take-off structural reliability objectives
Recent studies have focused on optimising wave energy converter (WEC) designs, maximising their power performance and techno-economic feasibility. Reliability has yet to be fully considered in these formulations, despite its impact on cost and performance. In this study, this gap is addressed by developing a reliability-based design optimisation framework for WEC hull geometries to explore the trade-off between power performance and power take-off (PTO) system damage equivalent loading (DEL). Optimised hull geometries for two sites are considered (from the centre of the North Sea and off the west coast of Norway), and two directions of motions (heave and surge). Results indicate that site characteristics affect the potential power production and DEL for an optimal WEC design. These are also affected by the direction of motion for power extraction, which also significantly changes optimal hull shape characteristics. Optimal surging WEC designs have edges facing oncoming wave directions, while heaving WECs have pointed bottoms, both to streamline movement. Larger, more convex WECs result in greater power production and DEL, while smaller, more concave WECs result in lesser power production and DEL. These findings underline the importance of considering WEC hull geometry in early design processes to optimise cost, power production, and reliability.
16 TIDAL AND WAVE POWER↗
Analysis and wave tank verification of the performance of point absorber WECs with different configurations
Not provided.
Energy & Fuels↗
Stationary Bragg reflection of laser light in inhomogeneous absorbing plasmas inside inertial confinement fusion Hohlraums
Laser-produced plasma in inertial confinement fusion (ICF) Hohlraums are marked with density non-uniformity whose length scale can go down to micrometers. This scale is of the order of the laser wavelength. The WKB approximation, which is classically used in radiation-hydrodynamic codes to compute the laser trajectory, cannot correctly take into account such small-scale inhomogeneity of the plasma. Going beyond this approximation, we predict a novel mechanism for the laser reflection. Here we show that an electromagnetic plane wave with wave number k resonates with the k B =2 k Fourier component of a multimode perturbation of the background density and generates a reflected wave. It is the first time that this reflection is considered for stationary inhomogeneous ICF plasmas, and the energy absorption is taken into account. This mechanism, which is a form of Bragg reflection, can occur away from the critical surface and generate a drift of the location of the laser absorption. Furthermore, this absorption will be periodically modulated with a k B wave number. The stationary Bragg reflection can explain ongoing discrepancies between experimental and numerical data about laser trajectory and absorption in ICF Hohlraums.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Destruction of absorbing metal films during laser printing with gel microdroplets
The degree of destruction and evaporation of metal films (Au and Ti, thickness ∼50 nm) with a gel layer during laser transfer of small volumes of a gel substrate is estimated depending on the laser fluence value. The dynamics of these processes for dry films and films with a gel layer at fluences close to threshold values is investigated using a probe beam of a He – Ne laser. It is shown that the presence of a gel leads to an increase in the ablation threshold, but the time during which the process of structural changes in the film material is completed does not change significantly. The results obtained can be used to improve the laser bioprinting technology. (interaction of laser radiation with matter)
36 MATERIALS SCIENCE↗
The hunt for the third acceptor in CuInSe 2 and Cu(In,Ga)Se 2 absorber layers
We show the model for intrinsic defects in Cu(In,Ga)Se 2 semiconductor layers is still under debate for the full range between CuInSe 2 and CuGaSe 2 . It is commonly agreed by theory and experiment, that there are at least one shallow donor and two shallow acceptors. Spatially resolved photoluminescence on CuGaSe 2 previously revealed a third acceptor. In this study we show with the same method that the photoluminescence peak at 0.94 eV in CuInSe 2 , previously attributed to a third acceptor, is a phonon replica. However another pronounced peak at 0.9 eV is detected on polycrystalline CuInSe 2 samples grown with high copper and selenium excess. Intensity and temperature dependent photoluminescence measurements reveal that this peak originates from a DA-transition from a shallow donor (<8 meV) into a shallow acceptor A3 (135 [Formula: see text] 10) meV. The DA3 transition has three distinct phonon replicas with 28 meV spectral spacing and a Huang Rhys factor of 0.75. Complementary admittance measurements are dominated by one main step with an activation energy of 125 meV which corresponds well with the found A3 defect. The same defect is also observed in Cu(In,Ga)Se 2 samples with low gallium content. For [Ga]/([Ga] + [In])-ratios of up to 0.15 both methods show a concordant increase of the activation energy with increasing gallium content shifting the defect deeper into the bandgap. The indium vacancy ν In is discussed as a possible origin of the third acceptor level in CuInSe 2 and ν III in Cu(In,Ga)Se 2 .
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗