Inductive Effect Research Articles

Thiols Modulated Gold Nanorods Self-Assembly: Indirect Hydrophobic Effects Instead of Direct Electrostatic/Hydrogen Bonds Attraction.

For nanocrystals (NCs) self-assembly, understanding the chemical and supramolecular interactions among building blocks is significant for both fundamental scientific interests and rational nanosuperstructure construction. However, it has remained an extreme challenge for many self-assembly systems due to the lack of appropriately quantitative approaches for the corresponding exploration. Herein, by combination of the proposed colorimetric method for cationic surfactant quantitation and all-atom simulations, we manage to present a clear chemical picture for the thiol molecules modulated self-assembly of gold nanorods (GNRs), one of the earliest and most convenient methods for the fabrication of freestanding GNR self-assemblies. It is revealed that the self-assembly of GNRs is driven by the hydrophobic effects of the alkyl chains of the modified cationic surfactants, as their bilayer structure is destroyed by the added thiol molecules. In other words, the actual roles of the thiol molecules for causing GNRs assembly are indirectly inductive effects instead of the previously believed direct electrostatic attraction and/or hydrogen-bond linking effects of the binding thiol molecules. Furthermore, the GNRs exhibit diameter-dependent assembly behaviors: thicker GNRs tend to adopt the end-to-end assembly mode, while thin ones prefer the side-by-side assembly mode, further demonstrating that hydrophobic effects among the build blocks are the driving force for the GNRs assembly.

The osteogenic inducing potential of platelet-rich fibrin on stem cells derived from bone marrow and oral mucosa

BackgroundRecently, attention has been directed toward the use of osteoinductive biomaterials in combination with stem cells for possible application in repair of bony defects. Blood products, namely platelet-rich fibrin (PRF), have been widely used nowadays owing to their wide range of advantages. Gingival mesenchymal stem cells (GMSCs) also recently have been utilized and considered as a highly promising alternative source, eliminating a lot of the drawbacks faced by stem cells derived from the bone marrow. The present study aimed to compare the proliferative and osteogenic effect of PRF, on both GMSCs and BM-MSCs. BM-MSCs and GMSCs were cultured in osteogenic media in combination PRF for two weeks. Following culture, MTT assay was conducted to assess the proliferative capacity of both types of cells after subjection to PRF. Osteogenic differentiation was assessed by Alizarin red staining in addition to OSN and Runx2 gene expression by RT-qPCR.ResultsPRF proved to have a positive proliferative effect, especially on GMSCs, compared to BM-MSCs. PRF also demonstrated a positive osteogenic inductive effect on both stem cell types, but its effect seemed to be more pronounced when combined with GMSCs.ConclusionsPRF proved to be a promising and potent inducer of proliferation and osteogenesis when used in combination with stem cells, especially when combined with GMSCs.

Electronically Manipulated Molecular Strategy Enabling Highly Efficient Tin Perovskite Photovoltaics.

Buried interface modification can effectively improve the compatibility between interfaces. Given the distinct interface selections in perovskite solar cells (PSCs), the applicability of a singular modification material remains limited. Consequently, in response to this challenge, we devised a tailored molecular strategy based on the electronic effects of specific functional groups. Therefore, we prepared three distinct silane coupling agents, and due to the varying inductive effects of these functional groups, the electronic distribution and molecular dipole moments of the coupling agents are correspondingly altered. Among them, trimethoxy (3,3,3-trifluoropropyl)-silane (F3 -TMOS), which possesses electron-withdrawing groups, generates a molecular dipole moment directed toward the hole transport layer (HTL). This approach changes the work function of the HTL, optimizes the energy level alignment, reduces the open-circuit voltage loss, and facilitates carrier transport. Furthermore, through the buffering effect of the coupling agent, the interface strain and lattice distortion caused by annealing the perovskite are reduced, enhancing the stability of the tin-based perovskite. Encouragingly, tin PSCs treated with F3 -TMOS achieved a champion efficiency of 14.67 %. This strategy provides an expedient avenue for the design of buried interface modification materials, enabling precise molecular adjustments in accordance with distinct interfacial contexts to ameliorate mismatched energetics and enhance carrier dynamics.

Electronically Manipulated Molecular Strategy Enabling Highly Efficient Tin Perovskite Photovoltaics

AbstractBuried interface modification can effectively improve the compatibility between interfaces. Given the distinct interface selections in perovskite solar cells (PSCs), the applicability of a singular modification material remains limited. Consequently, in response to this challenge, we devised a tailored molecular strategy based on the electronic effects of specific functional groups. Therefore, we prepared three distinct silane coupling agents, and due to the varying inductive effects of these functional groups, the electronic distribution and molecular dipole moments of the coupling agents are correspondingly altered. Among them, trimethoxy (3,3,3‐trifluoropropyl)‐silane (F3‐TMOS), which possesses electron‐withdrawing groups, generates a molecular dipole moment directed toward the hole transport layer (HTL). This approach changes the work function of the HTL, optimizes the energy level alignment, reduces the open‐circuit voltage loss, and facilitates carrier transport. Furthermore, through the buffering effect of the coupling agent, the interface strain and lattice distortion caused by annealing the perovskite are reduced, enhancing the stability of the tin‐based perovskite. Encouragingly, tin PSCs treated with F3‐TMOS achieved a champion efficiency of 14.67 %. This strategy provides an expedient avenue for the design of buried interface modification materials, enabling precise molecular adjustments in accordance with distinct interfacial contexts to ameliorate mismatched energetics and enhance carrier dynamics.

KxVPO4F (x∼0): A New High‐Voltage and Low‐Stain Cathode Material for Ultrastable Calcium Rechargeable Batteries

AbstractThe utilization of high‐voltage intercalation cathodes in calcium‐ion batteries (CIBs) is impeded by the substantial size and divalent character of Ca2+ ions, which result in pronounced volume alterations and sluggish ion mobility, consequently causing inferior reversibility and low energy/power densities. To tackle these issues, polyanionic K‐vacant KxVPO4F (x∼0, designated as K0VPF) is proposed as high‐voltage and ultra‐stable cathode material in CIBs. The K0VPF demonstrates a decent calcium storage capacity of 75 mAh g−1 at 10 mA g−1 and remarkable capacity retention of 84.2% over 1000 cycles. The average working voltage of the K0VPF is 3.85 V versus Ca2+/Ca, representing the highest value reported for CIB cathodes to date. The combined experimental and theoretical investigations revealed that the low volume changes and hopping diffusion barriers contribute to the extraordinary stability and high‐power capabilities, respectively, of K0VPF. The distribution of Ca ions into polyanionic frameworks with pronounced spatial separation effectively attenuates the Ca2+–Ca2+ repulsive force and thus augmenting the Ca migration kinetics. The high voltage of K0VPF is attributed to the inductive effect from the largely electronegative fluorine. In conjunction with a calcium metal anode and a compatible electrolyte, Ca metal full cells featured a record‐high energy density of ≈300 Wh kg−1.

Resistive Memory-Switching Behavior in Solution-Processed Trans, trans-1,4-bis-(2-(2-naphthyl)-2-(butoxycarbonyl)-vinyl) Benzene-PVA-Composite-Based Aryl Acrylate on ITO-Coated PET.

Resistive switching memories are among the emerging next-generation technologies that are possible candidates for in-memory and neuromorphic computing. In this report, resistive memory-switching behavior in solution-processed trans, trans-1,4-bis-(2-(2-naphthyl)-2-(butoxycarbonyl)-vinyl) benzene-PVA-composite-based aryl acrylate on an ITO-coated PET device was studied. A sandwich configuration was selected, with silver (Ag) serving as a top contact and trans, trans-1,4-bis-(2-(2-naphthyl)-2-(butoxycarbonyl)-vinyl) benzene-PVA-composite-based aryl acrylate and ITO-PET serving as a bottom contact. The current-voltage (I-V) characteristics showed hysteresis behavior and non-zero crossing owing to voltages sweeping from positive to negative and vice versa. The results showed non-zero crossing in the devices' current-voltage (I-V) characteristics due to the nanobattery effect or resistance, capacitive, and inductive effects. The device also displayed a negative differential resistance (NDR) effect. Non-volatile storage was feasible with non-zero crossing due to the exhibition of resistive switching behavior. The sweeping range was -10 V to +10 V. These devices had two distinct states: 'ON' and 'OFF'. The ON/OFF ratios of the devices were 14 and 100 under stable operating conditions. The open-circuit voltages (Voc) and short-circuit currents (Isc) corresponding to memristor operation were explained. The DC endurance was stable. Ohmic conduction and direct tunneling mechanisms with traps explained the charge transport model governing the resistive switching behavior. This work gives insight into data storage in terms of a new conception of electronic devices based on facile and low-temperature processed material composites for emerging computational devices.

PHOTOCATALYTIC DEGRADATION OF 3-CHLOROPHENOL USING Pd/Ag DOPED ON P25 DEGUSSA TiO2 NANOPARTICLE WITH UV RADIATION

Photocatalytic degradation of 3-chlorophenol was investigated using Pd/Ag doped on P25 Degussa TiO2. The Pd/AgTiO2 photocatalysts were prepared by sol immobilization method. A fabricated photo-reactor was used in photocatalytic degradation of 3-chlorophenol and monitored using HPLC. The experimental results indicates that doping of Pd/Ag on TiO2 increases the photocatalytic efficiency of TiO2. The experimental results indicates that Pd/ TiO2 has a photodegradation efficiency of 40.44% while Ag/TiO2 has a photodegradation efficiency of 60.44%. The dried catalysts were subsequently used again under the same experimental condition with a fresh 3-chlorophenol up to four (4) times. The result indicates that the re-used catalysts remain active for up to four (4) times of usage with minor reduction in activity, which is attributed to metal leaching. Ag/TiO2 has higher rate constant of - 0.019 than Pd/TiO2 which is -0.031, the rate constant for the degradation followed first-order reaction kinetics. The photocatalytic degradation of 3-chlorophenol indicates unstable degradation due to effect of inductive and mesomeric effect which is less on meta-position. The use of nanotechnology in wastewater treatment plants to curtail the environmental and health consequences of a widespread of organic pollutants should be encouraged.

Elastic and electronically inelastic scattering of electrons by 2H-pyran and 4H-pyran molecules

We report on elastic and electronically inelastic integral and differential cross sections for electron collisions with the 2H-pyran and 4H-pyran molecules. The scattering calculations were performed with the Schwinger multichannel method and aimed to (i) investigate the formation of resonant states, (ii) assign and compare the resonance spectrum of these isomers, and (iii) evaluate the influence of multichannel coupling effects upon elastic and electronically inelastic scattering processes. In the elastic channel, calculations carried out at the static-exchange and static-exchange plus polarization levels of approximation revealed the presence of three shape resonances for each one of the pyran isomers. For the 2H-pyran molecule, we found two resonances related to the formation of long-lived π∗ anion states that are centered at 1.38 or 1.32 eV (π1∗) and 4.54 or 4.46 eV (π2∗), depending on the polarization model used in the calculations, and a broad resonance of σ∗ character located around 9.50–10.00 eV. The resonances observed in the case of the 4H-pyran molecule have the same character with centers located at 2.08 or 2.20 eV (π1∗), 3.92 or 3.94 eV (π2∗), and 9.24–10.00 or 9.50–10.00 eV (σ∗), depending on the polarization model used in the calculations. The difference in the position of the resonances when comparing the results for the 2HPY and 4HPY molecules is explained in terms of the inductive effect. The electronically inelastic calculations employed the minimal orbital basis for single configuration interactions strategy and considered up to 129 open channels for 2H-pyran and up to 249 open channels for 4H-pyran. According to these levels of channel coupling, we computed integral and differential cross sections for the excitation from the ground state to the 13A′, 23A′, 11A′′, and 21A′ electronic excited states of 2H-pyran and to the 13B2, 13A1, 11B1, and 11B2 electronic excited states of 4H-pyran. As a general trend, for both isomers, we observed that the magnitude of the cross sections is reduced as more channels are considered open in the scattering calculations. We also obtained the total ionization cross sections for 2H- and 4H-pyran using the binary-encounter-Bethe model, which next was summed to the elastic and electronically inelastic cross sections to estimate the total cross sections. As a whole, these results correspond to the first set of cross sections for these targets published to date. Such an effort is aimed at addressing the demand of different communities regarding the expansion of the cross section data set for electron collisions with molecules of technological, environmental, and biological relevance, a need that has been raised by several reviews on the subject.

Sorption Extraction of Gallium from Alumina-Alkaline Solutions

AbstractThe possibility of sorption concentration of gallium from alumina-alkaline solutions resulting by leaching of recycled soda with sludge water during alumina production—which are middlings of alumina production—has been studied. During bauxite processing, soda is accumulated in recycled alkali solutions, extracted by evaporation and used in sintering. The sludge water is formed during storage of wastes pumped in the form of slurry to the settling tank and can be used in production as wash water. Sorption processes with application of ion exchange resins with high capacity and selectivity, presented in the world market in a large assortment, seem to be a promising direction of gallium concentration from alumina-alkaline solutions. On the basis of the analysis carried out, anion exchangers AN-31 and D-403 OH form were selected for sorption concentration of gallium from alumina-alkaline solutions. A comparative analysis of the sorption properties showed that the D-403 anion exchange resin exhibited better selectivity and a higher dynamic exchange capacity for gallium. The high capacity for gallium absorption with the D-403 anion exchanger resulted from its greater basicity, since the oxyhydryl groups at the β-, γ- and δ-positions in the resin matrix exert a greater negative inductive effect on the tertiary nitrogen atom, which has a lone electron pair, compared to the oxyhydryl and hydroxy groups in the β- and γ-positions relative to the secondary nitrogen atom of the anion exchange resin AN- 31. Due to the unshared electron pair of the nitrogen atom, an additional covalent effect arose, causing stronger chemical bonding between the gallium ions and the D-403 anion exchange matrix. Studies were carried out to determine the optimal conditions for the desorption of gallium with a 2 N sodium hydroxide solution. The gallium content in the alkaline eluates was suitable for electrolytic production of metallic gallium.

Impulse Characteristics of Soil Treated with Enhancement Materials and Various Moisture Contents

Due to the high mineral contents of additives and enhancement materials (EMs), EMs have become popular in treating soil, which expectedly improves the electrical characteristics of soil. Much of the published work on the effectiveness of EMs is based on investigations at low magnitudes of voltage, current and frequency; however, the study of these EMs under high-impulse conditions has not been widely addressed. In this work, the experimental results of a small-mesh ground electrode without EMs and treated with EMs, where the latter was poured with a controlled amount of water, are presented. The impulse impedance was expected to change appreciably due to the ionic conduction in soil and the use of EMs with a high water content; however, the impulse impedance was found to be weak and dependent on the water content, and the inductive effect was found to be significant at the voltage and current decay times. This indicates that, even though EMs and highly wetted soil can reduce the soil resistivity and relative resistance value, special attention has to be given to the impulse characteristics of the ground electrodes, particularly at tail/decay times.

Mechanistic insights into the CO2 reduction to ethylene catalyzed by F-modified Cu/graphene composites

Fluorine-modified copper catalysts are expected to improve electrocatalytic CO2 reduction performance. In addition to active species, the cluster/support interaction in cluster-loaded catalysts has been shown to vary according to both the inherent reactivity of the metal cluster and the properties of the support. Herein, Cu loaded fluorine-doped graphene catalyst (Cu/FDG) was designed and the mechanism of Cu/FDG-catalytic reduction of CO2 into ethylene were explored. F strengthens the interaction between Cu4 and graphene surface, promoting the electron transfer of Cu clusters to the fluorine-modified graphene due to the inductive effect, which results in the formation of both Cu0 and oxidized Cuδ+ species. These species hence accelerate the adsorption of *CO, while the *CO coupling favors the generation of ethylene on the top site of Cu4 cluster due to the undercoordinated environment. The electrophilic effect guiding interface charge population can be applied to tune the reaction selectivity of Cu-catalytic reduction of CO2.

The nature of the NO bond in amine oxides

AbstractDespite the ubiquitous presence of amine oxides in chemistry, there is no consensus about the nature of the NO bond in these compounds. In this work, we have used electron density analysis to investigate the nature of this bond in substituted amine oxides, R3NO, and have compared it with the nature of the NO bond in hydroxylamines, R2NOR, and model molecules that have well‐established chemical bond character. The results showed that the NO bond length and relative stability are proportional to the inductive effect of the substituents. Quantum chemical topology, natural bond orbitals (NBO), and natural resonance theory (NRT) analyses indicated that the NO bond is polar covalent in all the studied amine oxides, but the ionic contribution is different. NBO and NRT analyses revealed that molecules with more electronegative substituents have strongly delocalized NO and NR bonds, whereas molecules with electropositive substituents have localized bonds.

Ionic Polyimine-Based Composite Membrane with Inductive and Complexation Synergistic Effects for Sensitive and On-Site Fluorescent Detection of Volatile Iodine.

Along with the development of nuclear power, concerns about radioactive emissions and the potential for nuclear leakage have been widely raised, particularly of harmful iodine isotopes. However, as a significant component of nuclear air waste, the enrichment and detection of air-dispersed gaseous iodine remain a challenge. In this work, it is focused on developing an attraction-immobilization-detection strategy-based fluorescence method for the on-site detection of volatile iodine, by employing a photoluminescent ionic polyimine network-polyvinylpyrrolidone (IPIN-PVP) composite membrane. This strategy synergizes ion-induced dipole interactions from IPIN and complexation effects from PVP, allowing effective iodine enrichment and immobilization. As a result, the optimized IPIN-PVP membrane exhibits rapid response times of 5 s and a low detection limit of 4.087 × 10-8m for gaseous iodine. It also introduces a portable handheld detection device that utilizes the composite membrane, offering a practical solution for real-time on-site detection of volatile iodine. This innovation enhances nuclear safety measures and disaster management by providing rapid and reliable iodine detection capabilities.

Theoretical investigation of tautomerism of 2- and 4-pyridones: origin, substituent and solvent effects.

Computational investigation at the BHandHLYP/6-311+G(d,p) level of theory of the gas-phase tautomerism of 2- and 4-pyridones confirmed the slight prevalence of lactim in the case of the former, but its dominance in the case of the latter, as shown previously. Examination of aromaticity by using HOMA, EDDB, NBOdel, NICS and AICD led to the conclusion that tautomerization of 4-pyridone results in greater aromaticity gain. It is also driven by the Pauli repulsion relief, which was revealed by the tautomerization energy decomposition analysis. By contrast, in the case of 2-pyridone, lactim is favoured by orbital and electrostatic interactions and disfavoured by the Pauli repulsion. Aromaticity gain in this case is smaller. The position of the tautomeric equilibrium can be modulated by substituent inductive effects (Cl and F), inductive and resonance effects (NH2 and NO2), hydrogen bonding (NO2), and medium polarity, the increase of which increases lactam population.

Predicting the effect of framework and hydrocarbon structure on the zeolite-catalyzed beta-scission.

Developing improved zeolites is essential in novel sustainable processes such as the catalytic pyrolysis of plastic waste. This study used density functional theory to investigate how alkyl chain length, unsaturated bonds, and branching affect β-scission kinetics in four zeolite frameworks, a key reaction in hydrocarbon cracking. The activation enthalpy was evaluated for a wide variety of 23 hydrocarbons, with 6 to 12 carbon atoms, in FAU, MFI, MOR, and TON. The consideration of both branched and linear olefin and diolefin reactants for the β-scission indicates how the reactant structure influences the intrinsic cracking kinetics, which is especially relevant for the catalytic cracking of plastic waste feedstocks. Intrinsic chemical effects, such as resonance stabilization, the inductive effect, and pore stabilization were found to provide an essential contribution to the activation enthalpy. Additionally, a predictive group additive model incorporating a novel so-called "pore confinement descriptor" was developed for fast prediction of the β-scission activation barrier of a wide range of molecules in the four zeolites. The obtained model can serve as an input for detailed kinetic models in zeolite-catalyzed cracking reactions. The acquired fundamental insights in the cracking of hydrocarbons, relevant for renewable feedstocks, correspond well with experimental observations and will facilitate an improved rational zeolite design.

Facile synthesis and bonding of 4-ferrocenyl-1,2,4-triazol-5-ylidene complexes.

Ferrocene-substituted carbenes have emerged as attractive, redox-active ligands. However, among the compounds studied to date, ferrocenylated 1,2,4-triazol-5-ylidenes, which are closely related to the archetypal imidazol-2-ylidenes, are still unknown. Here, we demonstrate that the triazolium salt [CHN(Me)NCHN(Fc)]I (2; Fc = ferrocenyl), obtained by alkylation of 4-ferrocenyl-4H-1,2,4-triazole (1) with MeI, reacts selectively with metal alkoxide/hydroxide precursors [(cod)Rh(OMe)]2 and [(IPr)Au(OH)] (cod = cycloocta-1,5-diene, IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene) to produce the ferrocene-substituted 1,2,4-triazol-5-ylidene complexes [(cod)RhI{CN(Me)NCHN(Fc)}] and [(IPr)Au{CN(Me)NCHN(Fc)}]I in good yields. The complexes were characterised by NMR and IR spectroscopy, mass spectrometry, cyclic voltammetry, and single-crystal X-ray diffraction analysis. Density function theory (DFT) calculations were used to rationalise the electrochemical behaviour of the carbene complexes and to elucidate the bonding situation in these compounds. An analysis using intrinsic bond orbitals (IBOs) revealed that the 1,2,4-triazol-5-ylidene ligand exerted a strong trans influence and showed a synergistic stabilisation by the negative inductive and positive π-donor effects of the nitrogen atoms adjacent to the carbene carbon atom; these effects were enhanced by conjugation with the CHN bond at the exterior, similar to that in imidazol-2-ylidenes.

First-principle calculations study of the ORR/OER electrocatalytic activity of ruthenium polyphthalocyanine axially modified with aliphatic thiol groups.

In this study, the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) catalytic activity of ruthenium polyphthalocyanine axially modified with different aliphatic thiol groups, RuPPc-SR (SR = -SCH3, -SC2H5, -SC3H7, -SC4H9, -SC5H11, and -SC6H13), in an acidic medium were simulated using DFT. All -SR groups can effectively enhance the ORR and OER catalytic activities of RuPPc. The ORR and OER overpotentials of RuPPc-SC4H9 are 0.237 V and 0.436 V, respectively, which are far lower than those of RuPPc (0.960 V and 0.903 V). For RuPPc-SC4H9, the four C and S atoms of the -SC4H9 chain and Ru atom are coplanar, and thus, conjugate effects and inductive effects exist between the -SC4H9 chain and Ru atom. This makes the Ru atom exhibit the least positive Bader charge and smallest spin density, and the anti-bonding orbitals of dxz, dyz, and dz2 of the Ru atom shift below the Fermi level (Ef). This makes the adsorption strength of RuPPc-SC4H9 toward ORR and OER intermediates the weakest, which accelerates the reaction process, thus resulting in better ORR and OER catalytic activity. Therefore, the introduction of the aliphatic thiol groups might effectively improve the OER/ORR catalytic activity of RuPPc.

Enhancing silicon-nitride formation through ammonolysis of silanes with pseudo-halide substituents.

Considering the challenges in reactivity, potential contamination, and substrate selectivity, the ammonolysis of traditional halosilanes in silicon nitride (SiN) thin film processing motivates the exploration of alternative precursors. In this pioneering study, we employed density functional theory calculations at the M06-2X/6-311++G(3df,2p) level to comprehensively screen potential pseudo-halide substituents on silane compounds as substitutes for conventional halosilanes. Initially, we investigated the ammonolysis mechanism of halosilanes, exploring factors influencing activation barriers, with the aid of frontier molecular orbital and charge density analyses. Subsequently, a systematic screening of silane substituents from group 14 to group 16 was conducted to identify pseudo-halides with low reaction barriers. Additionally, we examined the inductive effects on pseudohalide substituents. Using cluster models to represent the silicon surface validates the realistic prediction of ammonolysis barriers with a simplified model. Our findings indicate that pseudo-halide substituents from group 16, particularly those with electron-withdrawing groups, present as practical alternatives to traditional halosilanes in SiN thin film processing, including applications such as low-temperature atomic layer deposition (ALD) techniques.

Gas-induced controllable synthesis of the Cu(100) crystal facet for the selective electroreduction of CO2 to multicarbon products.

Electrocatalytic CO2 reduction (ECR) to high value-added chemicals is an excellent method to attenuate the impact of greenhouse effect caused by CO2. At the same time, multicarbon products (C2+) get extensive attention in view of their relatively high energy density and market price. At present, Cu is an important metal electrocatalyst to convert CO2 into multicarbon products (e.g. ethylene, ethanol, and n-propanol); however, its poor selectivity impedes its practical application. It is well-known that the Cu(100) crystal facet can enhance the selectivity toward multicarbon products among different Cu crystal facets. Herein, the Cu nanoparticles were firstly prepared using the inductive effect of different gases (CO2, CO, Ar, N2, and air) during the Cu electrodeposition processes, in which the CO2-induced Cu catalyst (Cu-CO2) showed the largest normalized content of the Cu(100) crystal facet and the highest C2+ faradaic efficiency of 69% at a current density of 80 mA cm-2 in ECR. Subsequently, the different CO2 pressures during the Cu electrodepositions were studied to reveal the optimal CO2 pressure in the CO2-induced Cu synthesis for improved Cu(100) content as well as C2+ faradaic efficiency. Finally, density functional theory (DFT) calculations confirmed that CO2 molecules preferred to get adsorbed on the Cu(100) crystal facet, which resulted in not only the presence of dominant Cu(100) during the CO2-induced Cu synthesis but also the good electrocatalytic performance in ECR.

Nickel-doped lithium-vacant layered LiyCr1−xNixO2: a potentially active electrocatalyst for the oxygen evolution reaction

Ni-doping in layered LiyCr1−xNixO2 seems to be an effective technique to develop superior OER catalysts through an inductive effect of neighboring Cr–O and Ni–O bonds along with the partial Li-vacancy and cation mixing.