Tetrathiafulvalene (TTF) derivatives are well-known molecular-based conductors. They used to prepare porous crystalline structures with efficient charge transport properties and suitable chemical design, such as metal–organic frameworks (MOFs), covalent organic (COFs), hydrogen-bonded (HOFs). MOFs based on TTF have attracted attention electrode-active materials for rechargeable metal-ion batteries owing multielectron redox reactions, resulting in improved battery capacity. This study focuses...

Abstract Hydrogen‐bonded organic frameworks (HOFs) have been widely researched and used in industrial fields owing to their relatively low weight high pore volume. Furthermore, HOFs with redox‐active units recently gained attention as electrode‐active materials for energy storage devices well other porous polymers. This study focuses on N , ‐bis(2‐isophthalicacid)naphthalenediimide (ECUT‐HOF‐30), which exhibits good redox mechanical properties the imide heterocyclic compounds,...

ABSTRACT It is widely recognized that direct internal reforming (DIR) solid oxide fuel cells (SOFCs) fueled by biomass are one of the eco‐friendly and high‐power generation methods. In existing cell configurations, however, performance durability degradation SOFCs induced a strong endothermic dry methane (DRM). They required to understand fundamental thermal distribution mechanism construct new configurations relax effects. We performed three‐dimensional analysis coupled with computational...

Aromatic azo compounds have been reported as organic active materials of sodium-ion and lithium-ion batteries owing to the redox reaction groups (N═N) introduction insoluble groups. In this study, we investigated a method realize both high capacity good cycle performance by combining aromatic with redox-active atoms in electrolyte. Moreover, metal–organic framework (MOF) CPL-4 ([Cu2(pzdc)2(azpy)], pzdc = pyrazine-2,3-dicarboxylate, azpy 4,4-azopyridine, pore size: 10 × 6 Å2) was...

μ-Nitrido- and μ-carbido-bridged iron phthalocyanine dimers, when used as cathode-active materials for rechargeable lithium batteries, showed four stable redox waves in cyclic voltammetry studies solution a discharge capacity of approximately 60 mAh g–1 after 200 cycles. These results indicate that μ-heteroatom-bridged dimers are good platforms designing novel phthalocyanine-based electrode-active materials.

We performed DFT calculations for hydrocarbon species on Ni(111) with direct electric fields and co-adsorbed O atoms, respectively. The latter effect is dominant in NEMCA mechanism CO 2 methanation the overall reaction accelerates SOEC mode.

Power generation with renewable energy using solid oxide cells (SOCs) has been widely researched. To solve the existing problems of SOCs, such as degradation and efficiency improvement, it is essential to understand reaction mechanisms on surface/interface triple phase boundary (TPB) composed catalysts, electrolytes, gas phases. However, a reliable TPB model not uniquely defined discuss property. This study focused comprising Ni yttria-stabilized zirconia (YSZ) phases, aimed theoretically...

Non-Faradaic electrochemical modification of catalytic activity (NEMCA) with an electric field (EF) has attracted attention as one the methods to improve catalyst performance. However, this activation mechanism is not still clear. In study, we focused on NEMCA in CO2 methanation Ni metal solid oxide electrolysis cell (SOEC) and calculated two possible effects mechanism; direct EF applications oxygen atom co-adsorptions, using density functional theory calculations detailed kinetic...

Abstract Nanohybrid materials comprising polyoxometalates (POMs) and nanocarbons have attracted considerable attention as electrode‐active for rechargeable lithium‐ion batteries (LIBs). These exhibit multi‐electron redox reactions, resulting in an improved battery capacity. This study focuses on carbon nanohorns (CNHs) a nanocarbon material evaluates the performance using POM/CNH hybrids cathode‐active materials. X‐ray absorption fine structural analysis was performed to investigate reaction...

High SOFC operating temperature allows direct internal reforming (DIR) of methane within the anode, which is expected to be load-following simple dispersed power system. However, decrease by endothermic reaction leads carbon formation and increase thermal stress cause in performance durability cells. We have developed a reactor model coupled with computer fluid dynamics reactions predict three dimensional distributions. Calculated distributions along flow direction agree experimentally...

Non-faradaic electrochemical modification of catalytic activity (NEMCA) by impression electric field is one the methods to improve catalyst performance. In this study, we have theoretically investigated mechanism NEMCA in CO2 methanation solid oxide electrolysis cell using density functional theory (DFT). DFT calculations been performed for hydrocarbon species on Ni (111) facet with direct or co-adsorbed oxygen atoms, and their dependence rate determining steps (RDSs) from our kinetic...

To resolve the existing issues of solid oxide cells such as degradation and efficiency improvement, it is essential to understand reaction mechanisms on surface/interface triple phase boundary (TPB) a highly active site that consists catalysts, electrolytes, gas phases. However, reliable TPB model has not been still uniquely defined discuss property. In this study, we have focused comprising Ni yttria-stabilized zirconia (YSZ) phases aimed theoretically identify model. concrete, identified...

High SOFC operating temperature allows direct internal reforming (DIR) of methane within the anode, which is expected to be load-following simple dispersed power system. However, decrease by endothermic reaction leads carbon formation and increase thermal stress cause in performance durability cells. We have developed a reactor model coupled with computer fluid dynamics reactions predict three dimensional distributions. Calculated distributions along flow direction agree experimentally...

Non-Faradaic electrochemical modification of catalytic activity (NEMCA) with electric field applications in solid oxide cells (SOCs) is thought to be induced by spillover effects lattice oxygen from the bulk, although detailed mechanism has not still been clear. In SOCs, important phenomena such as fuel decomposition, charge transfer, etc. occur at triple phase boundary (TPB) a highly active site that consists catalyst, electrolyte, and gas phases. NEMCA expected also strongly surface on...

On the surface and interface, all materials change property such as stability electronic states from them on bulk. Human being continue to apply phenomena key technologies early times. For example, in solid oxide fuel cells (SOFCs), important decomposition, charge transfer etc., occur at or triple phase boundary (TPB) that consists of catalyst, electrolyte, gas phase. To solve remaining issues SOFCs degradation efficiency improvement, is know detail changes used interface. Theoretical study...