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At least 1,423 records · Page 79

Life cycle assessment of a novel gas switching reforming for sustainable hydrogen production with CO2 capture

Gas switching reforming for hydrogen production (GSR-H2) presents an efficient, low-carbon hydrogen production method that incorporates integrated carbon capture, offering efficiency gains over traditional methods such as proton exchange membrane (PEM) electrolysis, steam methane reforming (SMR) and the newer method of chemical looping reforming (CLR). GSR-H2 has been demonstrated in lab scale which operates as an exothermic process that eliminates the need for additional natural gas combustion, using its own waste heat to generate process steam and partially offset energy usage through electricity production. Beyond its thermal self-sufficiency, GSR-H2 advances upon CLR by integrating all reaction stages within a single reactor cluster, eliminating the complexities of solid circulation, reducing capital costs, and enhancing overall process efficiency. This streamlined design simplifies scale-up and enables inherent CO2 separation with minimal energy penalty, making GSR-H2 a highly competitive pathway for low-carbon hydrogen production. This study presents the first life cycle assessment (LCA) of GSR-H2, offering a novel evaluation of this new process’s environmental impacts across diverse energy scenarios. Key findings reveal that in the renewables-powered scenario, GSR-H2 achieves a GWP of 2.77 kg CO2 eq per kg H2, a substantial improvement over SMR’s 10.4 kg CO2 eq and close to the low emissions of CLR (1.84 kg CO2 eq) and PEM electrolysis (1.85 kg CO2 eq). These results demonstrate GSR-H2’s competitive advantage as a lower-emission alternative, combining design simplicity and efficiency gains, especially in renewable-integrated systems. These results establish GSR-H2 as a competitive, scalable option for hydrogen production, particularly in decarbonization efforts.

03 NATURAL GAS↗

Magnetic phase transitions and electrical switching in Gd5(Sn0.3Ge3.7) induced by magnetic field

Temperature and magnetic field dependences of the magnetization and electrical resistivity of zero-field-cooled (ZFC) Gd 5 (Sn 0.3 Ge 3.7 ) with a distinctly layered crystal structure have been studied. The unit cell of Gd 5 Ge 4 -based compounds is formed by 2D-like fragments, so-called slabs. Between 4.2 and 17 K, ZFC Gd 5 (Sn 0.3 Ge 3.7 ) shows an antiferromagnetic state [AFM(I)], which can be irreversibly transformed by a magnetic field to the ferromagnetic (FM) state. The critical magnetic field required for the irreversible AFM(I)-FM transition in Gd 5 (Sn 0.3 Ge 3.7 ) at 4.2 K is 38 kOe, which is 2-fold larger than observed in Gd 5 Ge 4 , 19 kOe. Additionally, ZFC Gd 5 Sn 0.3 Ge 3.7 ) above ˜30K shows another antiferromagnetic state [AFM(II)], which can be reversibly transformed by a magnetic field to the FM state. The difference between FM(I) and AFM(II) states (phases) in Gd 5 (Sn 0.3 Ge 3.7 ) can be attributed to the orientation of Gd magnetic moments, i.e., their orientation perpendicular or parallel to the slabs. In the temperature range of 17 K≤T≤30 K, both AFM(I) and FM(II) states (phases) may coexist in the alloy and can be irreversibly or reversibly transformed to the FM state. Magnetic phase transitions in Gd 5 (Sn 0.3 Ge 3.7 ) are accompanied with reversible or irreversible switching between the low- [AFM(I) and AFM(II)] and high-resistivity (FM) states.

Electrical switching↗

A convex penalty for switching control of partial differential equations

A convex penalty for promoting switching controls for partial differential equations is introduced; such controls consist of an arbitrary number of components of which at most one should be simultaneously active. Using a Moreau–Yosida approximation, a family of approximating problems is obtained that is amenable to solution by a semismooth Newton method. In conclusion, the efficiency of this approach and the structure of the obtained controls are demonstrated by numerical examples.

97 MATHEMATICS AND COMPUTING↗

Data-based and secure switched cyber–physical systems

In this work, we develop a completely model-free moving target defense framework for the detection and mitigation of sensor and/or actuator attacks in cyber–physical systems with dynamics that evolve in discrete-time. We incorporate an intrusion detection mechanism based on an approximate dynamic programming technique that learns the policies for optimal regulation and optimal tracking while simultaneously defending against actuator and sensor attacks in a model-free fashion. Switching rules are leveraged to force proactive and reactive defense mechanisms as well as, guarantee the stability of the equilibrium point. Finally, as a case study, we apply the proposed moving target defense framework to a DC–DC converter that is used in electric vehicles.

42 ENGINEERING↗

Light-Induced Macroscopic Peeling of Single Crystal Driven by Photoisomeric Nano-Optical Switching

Single-crystal optical actuators are emerging as a prospective material form for nano-optical mechanical switching, sensing, or transduction device applications in nano-technology and quantum technology. Crystal-lattice strain effects lie at the molecular origins of their macroscopic optical behavior, and linkage photoisomerization is an attractive source of optical actuation if only suitably functioning materials of this ilk could be found. In this work, we discover η 1 -SO 2 to η 1 -OSO single-crystal linkage photoisomerization in [Ru(NH 3 ) 4 (SO 2 )(3-phenylpyridine)]Cl 2 ·H 2 O, which behaves macroscopically as a single-crystal optical actuator, whereby the crystal peels in response to light-induction at 100 K. It thermally recovers, whereupon the crystal exhibits remarkable restorative properties. We apply photocrystallography alongside concerted optical microscopy and optical absorption spectroscopy to reveal how the molecular origins of photoisomerization induce crystal-lattice strain that engenders this macroscopic crystal peeling effect. Finally, linking structure and function across molecular and macroscopic length scales showcases a means by which single-crystal optically actuating materials could be systematically designed.

36 MATERIALS SCIENCE↗

Revealing Hot and Long-Lived Metastable Spin States in the Photoinduced Switching of Solvated Metallogrid Complexes with Femtosecond Optical and X-ray Spectroscopies

An atomistic understanding of the photoinduced spin-state switching (PSS) within polynuclear systems of d 4 –d 7 transition metal ion complexes is required for their rational integration into light-driven reactions of chemical and biological interest. However, in contrast to mononuclear systems, the multidimensional dynamics of the PSS in solvated molecular arrays have not yet been elucidated due to the expected complications associated with the connectivity between the metal centers and the strong interactions with the surroundings. Herein, the PSS in a solvated triiron(II) metallogrid complex is characterized using transient optical absorption and X-ray emission spectroscopies on the femtosecond time scale. The complementary measurements reveal the photoinduced creation of energy-rich (hot) and long-lived quintet states, whose dynamics differ critically from their mononuclear congeners. We report this finding opens major prospects for developing novel schemes in solution-phase spin chemistry that are driven by the dynamic PSS process in compact oligometallic arrays.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ferroelectric Switching in Hybrid Molecular-Beam-Epitaxy-Grown BaTiO 3 Films

Molecular beam epitaxy (MBE) is a promising synthesis technique for both heterostructure growth and epitaxial integration of ferroelectric BaTiO 3 . However, direct measurement of the remnant polarization (P r ) has not been previously reported in MBE-grown BaTiO 3 films. We report the in situ growth of an all-epitaxial SrRuO 3 /BaTiO 3 /SrRuO 3 heterostructure on Nb-doped SrTiO 3 (001) substrates by hybrid MBE using metal–organic precursors. This capacitor structure consisting of 16 nm SrRuO 3 /40 nm BaTiO 3 /16 nm SrRuO 3 shows hysteretic polarization–electric field (P–E) curves with P r ∼ 15 μC cm –2 at frequencies ranging from 500 Hz to 20 kHz, after isolating the intrinsic ferroelectric response from non-ferroelectric contributions using the Positive-Up-Negative-Down (PUND) method. We hypothesize that the asymmetry in switching behavior and current leakage has origins in structural defects. Furthermore, this work opens the door to defect-engineered ferroelectric BaTiO 3 -based heterostructures grown by hybrid MBE for future electronic, photonic and spintronic applications.

SrRuO3 electrode↗

Resistive Switching of Spinel Li 4 Ti 5 O 12 Lithium-Ion Battery Material for Neuromorphic Computing

The rapid rise of AI has exposed significant limitations in conventional Von Neumann computing architecture, particularly in regard to speed and energy efficiency. To address these challenges, researchers are exploring a brain-inspired neuromorphic architecture that mimics biological neural networks, enabling massive parallel processing with reduced power consumption for complex AI computational demands. Recent interest has focused on utilizing battery electrodes and solid electrolyte materials for their resistive switching properties in developing a neuromorphic architecture. These properties are precisely tuned through local- and bulk-level chemical composition modifications via voltage bias stimuli. In this study, we demonstrate fabricating a three-terminal lithium-ion electrochemical transistor based on lithium titanium oxide (Li 4 Ti 5 O 12 ), a popular lithium-ion battery anode material. We deposited and characterized LTO thin films using RF sputtering, demonstrating a 6 orders of magnitude increase in electronic conductivity upon lithiation, with conductivity plateauing after 20% lithiation. Density functional theory calculations revealed transformation from the insulating to conducting state, supported by experimental characterization through X-Ray Photoelectron Spectroscopy (XPS) and Direct Current (DC) polarization analyses. The fabricated transistor consisted of LTO as the channel layer, gold as source/drain terminals, lithium phosphorus oxynitride (LiPON) as the lithium-ion conductor, and copper as the gate terminal. The device exhibited clear hysteresis in transfer characteristics due to lithium insertion/extraction processes. Long-term potentiation (LTP) and long-term depression (LTD) measurements showed an asymmetric ratio of 1.425 and maximum/minimum conductance ratio of 7.83. When implemented in a deep neural network (DNN) for MNIST handwritten digit recognition, the device achieved 92.03% accuracy over 20 training epochs. Detailed transport mechanism analysis revealed the crucial role of oxygen vacancies and interface effects in device operation. Our preliminary findings establish LTO-based lithium-ion electrochemical transistors as promising candidates for energy-efficient neuromorphic computing applications, offering potential solutions to traditional Von Neumann architecture limitations.

25 ENERGY STORAGE↗

Exchange of Ions across the TiN/TaO x Interface during Electroformation of TaO x -Based Resistive Switching Devices

The valence change model describes the resistive switching in metal oxide-based devices as due to electroreduction of the oxide and subsequent electromigration of oxygen vacancies. Here, we present cross-sectional X-ray energy-dispersive spectroscopy elemental maps of Ta, O, N, and Ti in electroformed TiN/TaO 2.0 /TiN structures. O, N, and Ti were exchanged between the anode and the functional oxide in devices formed at high power (~1 mW), but the exchange was below the detection limit at low power (<0.5 mW). All structures exhibit a similar Ta-enriched and O-depleted filament formed by the elemental segregation in the functional oxide by the temperature gradient. The elemental interchange is interpreted as due to Fick’s diffusion caused by high temperatures in the gap of the filament and is not an essential part of electroformation.

36 MATERIALS SCIENCE↗

On-Surface Single-Molecule Identification of Mass-Selected Cyclodextrin-Supported Polyoxovanadates for Multistate Resistive-Switching Memory Applications

Polyoxovanadate anions immobilized on conducting substrates are promising candidates for molecule-based memory technologies. However, strong electronic interactions with the substrate and the formation of larger agglomerates remain bottlenecks on the way to their technical application. We demonstrate that ion soft-landing of mass selected cyclodextrin- functionalized hexavanadates enables to deposit these host-guest complexes as single memory units on surfaces without their quaternary ammonium countercations from solution. The cyclodextrin provides a stabilizing “shell” for the dianions. Further, multistate switching evidenced by the change in molecular resistance has been detected using scanning tunneling microscopy and spectroscopy and attributed to reduction of individual vanadium (+V) centers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Transforming Boron Carbon Nitride: A Carbon-to-Oxygen Switch to Boost Propane Oxidative Dehydrogenation

Hexagonal boron nitride (h-BN) catalysts exhibit high alkene selectivity in the oxidative dehydrogenation of propane (ODHP). Nevertheless, the conversion-selectivity trade-off persisted primarily due to the low density of oxygen-containing boron active species, while simple and controllable modification strategies for h-BN still face challenges. Herein, we developed an in situ carbon-to-oxygen switch strategy within a tailored boron carbon nitride (BCN) framework, in which uniformly embedded B–C 3 were transformed into B–O 3 via oxidative treatment (denoted as BNO x ). The structural evolution from B–C 3 to B–O 3 was well characterized by spectroscopy and soft X-ray absorption techniques. The resulting BNO x catalysts, enriched with B–O 3 units, demonstrated performance in ODHP, achieving a propane conversion of 50.4% with 32.7% olefin yield at 500 °C. Density functional theory (DFT) calculations confirmed that B–O 3 species preferentially lower activation barriers, rendering the process thermodynamically more favorable. In conclusion, this work introduced an in situ reconstruction method for atomic-level heteroatom-engineered h-BN catalysts, opening an avenue for advanced catalyst design across energy conversion systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Real-Time Corrective Switching in Response to Simultaneous Contingencies

The standard optimal power flow (OPF) problem is an economic dispatch (ED) problem combined with transmission constraints, which are based on a static topology. Prior research has demonstrated that cooptimization of generation dispatch and transmission topology results in cost savings. However, the computational complexity associated with topology control (TC) has been a major deterrent to its implementation. The proposed work investigates the application of a heuristic, a greedy algorithm, to improve the computational time for the TC problem while still maintaining the ability to find quality solutions. An expression is derived, which indicates the impact on the objective for a marginal change in the state of a transmission line. This expression is used to generate a priority list with potential candidate lines for switching, which may provide huge improvements to the system. The advantage of this method is that it is a fast heuristic as compared to using mixed integer programming (MIP) to find a solution. The heuristic is tested on real-time applications such as N-1 events, N - m events (m simultaneous contingencies), and cascading events. The proposed algorithm specifically targets cases that lead to load shedding in the system and provides a quick and efficient method to restore the loads by improving the deliverability of reserves via TC. Simulation results on the IEEE 73 bus test system and the IEEE 118 bus test system suggest a significant improvement in the amount of load served to the system with TC as opposed to without TC with minimal time and computation.

Electric power systems↗

Enlarged band gap and electron switch in graphene-based step-barrier structure

We study the transmission through a step-barrier in gapped graphene and propose a method to enlarge the band gap. The step-barrier structure consists of two or more barriers with different strengths. It is found that the band gap could be effectively enlarged and controlled by adjusting the barrier strengths in the light of the mass term. Klein tunneling at oblique incidence is suppressed due to the asymmetry of step-barrier, contrary to the cases in single-barrier and superlattices. Furthermore, a tunable conductance channel could be opened up in the conductance gap, suggesting an application of the structure as an electron switch.

36 MATERIALS SCIENCE↗

Multi-channel conduction in redox-based resistive switch modelled using quantum point contact theory

A simple analytic model for the electron transport through filamentary-type structures in Si-rich silica (SiO{sub x})-based resistive switches is proposed. The model is based on a mesoscopic description and is able to account for the linear and nonlinear components of conductance that arise from both fully and partially formed conductive channels spanning the dielectric film. Channels are represented by arrays of identical scatterers whose number and quantum transmission properties determine the current magnitude in the low and high resistance states. We show that the proposed model not only reproduces the experimental current-voltage (I-V) characteristics but also the normalized differential conductance (dln(I)/dln(V)-V) curves of devices under test.

36 MATERIALS SCIENCE↗

Acoustically assisted spin-transfer-torque switching of nanomagnets: An energy-efficient hybrid writing scheme for non-volatile memory

We show that the energy dissipated to write bits in spin-transfer-torque random access memory can be reduced by an order of magnitude if a surface acoustic wave (SAW) is launched underneath the magneto-tunneling junctions (MTJs) storing the bits. The SAW-generated strain rotates the magnetization of every MTJs' soft magnet from the easy towards the hard axis, whereupon passage of a small spin-polarized current through a target MTJ selectively switches it to the desired state with > 99.99% probability at room temperature, thereby writing the bit. The other MTJs return to their original states at the completion of the SAW cycle.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Conduction paths in Cu/amorphous-Ta{sub 2}O{sub 5}/Pt atomic switch: First-principles studies

We have examined the structure of Cu filaments in Cu/amorphous-Ta{sub 2}O{sub 5} (a-Ta{sub 2}O{sub 5})/Pt atomic switch from first principles. We have found that the Cu single atomic chains are unstable during the molecular dynamics (MD) simulation and thus cannot work as conduction paths. On the other hand, Cu nanowires with various diameters are stable and can form conductive paths. In this case, the Cu-Cu bonding mainly contributes to the conductive, delocalized defect state. These make a sharp contrast with the case of single Cu chains in crystalline Ta{sub 2}O{sub 5}, which can be conductive paths through the alternant Cu-Ta bonding structure. A series of MD simulations suggest that even Cu nanowires with a diameter of 0.24 nm can work as conduction paths. The calculations of the transport properties of Cu/a-Ta{sub 2}O{sub 5}/Pt heterostructures with Cu nanowires between two electrodes further confirm the conductive nature of the Cu nanowires in the a-Ta{sub 2}O{sub 5}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Resistive switching of a TaO{sub x}/TaON double layer via ionic control of carrier tunneling

Resistance random access memory (RRAM) is an attractive candidate for future non-volatile memory due to its superior features. As the oxide thickness is scaled down, the charge transport mechanism is also subject to the transition from hopping to tunneling dominant process, which is critically related to the interfacial electronic band structure. A TaO{sub x}/TaON double layer-based RRAM is fabricated and characterized in this work. Upon TaON insertion at the lower interface, the improved switching behavior is observed. The TaON at the bottom electrode interface blocks oxygen vacancy percolation due to strong N-O bonds and also modifies interfacial band alignment to lower the injected electron energy from bottom electrode due to higher tunneling barrier height than that of TaO{sub x}/Pt. This study suggested that a defect-minimized insertion layer like TaON with a proper interfacial band alignment is pivotal in RRAM for the effective ionic control of carrier tunneling resulting in non-linear I-V behavior with improved properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Note: Switching crosstalk on and off in Kelvin probe force microscopy

In Kelvin Probe Force Microscopy (KPFM) electronic crosstalk can occur between the excitation signal and probe deflection signal. Here, we demonstrate how a small modification to our commercial instrument enables us to literally switch the crosstalk on and off. We study in detail the effect of crosstalk on open-loop KPFM and compare with closed-loop KPFM. We measure the pure crosstalk signal and verify that we can correct for it in the data-processing required for open-loop KPFM. We also demonstrate that open-loop KPFM results are independent of the frequency and amplitude of the excitation signal, provided that the influence of crosstalk has been eliminated.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗