Electron Density Research Articles

Anomalous thermal transport and high thermoelectric performance of Cu-based vanadate CuVO3

Thermoelectric (TE) conversion technology, capable of transforming heat into electricity, is critical for sustainable energy solutions. Many promising TE materials contain rare or toxic elements, so the development of cost-effective and eco-friendly high-performance TE materials is highly urgent. Herein, we explore the thermal transport and TE properties of transition metal vanadate CuVO3 by using first-principles calculation. On the basis of the unified theory of heat conduction, we uncover the hierarchical thermal transport feature in CuVO3, where wave-like tunneling makes a significant contribution to the lattice thermal conductivity (κl) and results in the anomalously weak temperature dependence of κl. This is primarily attributable to the complex phononic band structure caused by the heterogeneity of Cu–O and V–O bonds. Simultaneously, we report a high power factor of 5.45 mW·K−2·m−1 realized in hole-doped CuVO3, which arises from a high electrical conductivity and a large Seebeck coefficient enabled by the multiple valleys and large electronic density of states near the valence band edge. Impressively, the low κl and the high power factor make p-typed CuVO3 have ZT of up to 1.39, with the excellent average ZT above 1.0 from 300 to 600 K, which is superior to most reported Cu-based TE materials. Our findings suggest that the CuVO3 compound is a promising candidate for energy conversion applications in innovative TE devices.

Enrooted‐type metal‐support interaction boosting oxygen evolution reaction in acidic media

Supported metal catalysts with appropriate metal‐support interactions (MSIs) hold a great promise for heterogeneous catalysis. However, ensuring tight immobilization of metal clusters/nanoparticles on the support while maximizing the exposure of surface active sites remains a huge challenge. Herein, we report an Ir/WO3 catalyst with a new enrooted‐type MSI in which Ir clusters are, unprecedentedly, atomically enrooted into the WO3 lattice. The enrooted Ir atoms decrease the electron density of the constructed interface compared to the adhered (root‐free) type, thereby achieving appropriate adsorption toward oxygen intermediates, ultimately leading to high activity and stability for oxygen evolution in acidic media. Importantly, this work provides a new enrooted‐type supported metal catalyst, which endows suitable MSI and maximizes the exposure of surface active sites in contrast to the conventional adhered, embedded, and encapsulated types.

Enrooted-type metal-support interaction boosting oxygen evolution reaction in acidic media.

Supported metal catalysts with appropriate metal-support interactions (MSIs) hold a great promise for heterogeneous catalysis. However, ensuring tight immobilization of metal clusters/nanoparticles on the support while maximizing the exposure of surface active sites remains a huge challenge. Herein, we report an Ir/WO3 catalyst with a new enrooted-type MSI in which Ir clusters are, unprecedentedly, atomically enrooted into the WO3 lattice. The enrooted Ir atoms decrease the electron density of the constructed interface compared to the adhered (root-free) type, thereby achieving appropriate adsorption toward oxygen intermediates, ultimately leading to high activity and stability for oxygen evolution in acidic media. Importantly, this work provides a new enrooted-type supported metal catalyst, which endows suitable MSI and maximizes the exposure of surface active sites in contrast to the conventional adhered, embedded, and encapsulated types.

Rapid electronic transport channel of Co‐P with Mo in a heterostructure embedded with P, N dual doped porous carbon for electrocatalytic oxygen and hydrogen evolution

We developed a molybdenum (Mo)‐doped cobalt (Co)‐heterostructure embedded on a phosphorous (P) and nitrogen (N) dual‐doped porous carbon which exhibits an intrinsic electronic transport channel of Co to Mo and P. The P,Mo,O‐Co/PNC/NF (NF = Nickel foam) electrode offers 335 mV overpotential at 10 mA cm‐2 in OER as compared with PMA‐ZIF67‐NC/NF and ZIF67‐NC/NF electrode with an overpotential of 357 and 373 mV respectively. Linear sweep voltammetry (LSV) of overall water splitting (OWS) supports that the current density gradually increased at a cell potential of 1.6 V with a maximum of 40 mA with a corresponding cell potential of 1.79 V at a current density of 10 mA cm−2. Density functional theory (DFT) calculations for water adsorption on optimized [111] surface of Co, CoMo, and CoMoP2 with adsorbed H2O and corresponding lattice determine the electron density difference of [111] surface with adsorbed H2O for Eads (eV) 4.23 corresponds to adsorption energy for CoMoP2. XANE‐EXAFS spectroscopy of P,Mo,O‐Co/PNC at Co K edge and Mo K edge suggests the presence of higher valence of both Cox+ and Mox+ without metallic Co and Mo and Co‐P and Mo‐P bonds as major structural units due to phosphidation as determined by R‐space FT‐EXAFS spectra.

Sulfur doping triggers charge redistribution at the heterointerface of Fe-N-C supported ultralow-Pt-loading electrocatalysts for efficient oxygen reduction

Development of low Pt-loading electrocatalyst with enhanced activity towards oxygen reduction reaction (ORR) is highly demanded for widespread penetration of clean energy technologies. Heterointerface regulation can effectively optimize the electronic structure and intrinsic activity of the carbon supported Pt-based electrocatalyst to reduce Pt consumption. Here, by judicious choice of a sulfur-doped Fe-N-C (Fe-NS-C) as support, we construct a novel Pt/Fe-N-C heterointerface with sulfur incorporation and develop a hybrid electrocatalyst (denoted as Pt@Fe-NS-C) with ultralow Pt-loading (1.51 wt%). The incorporation of sulfur triggers the charge redistribution at the heterointerface and reduces the electron transfer from Pt to Fe-NS-C, prompting the electron density around Pt sites and boosting the electrocatalytic performance towards ORR (half-wave potential: 0.903 V; mass activity of 1.28 A mg−1Pt at 0.9 V). In comparison, Pt species dispersed onto Fe-N-C without sulfur doping (Pt@Fe-N-C) are electron-deficient, which is not conductive to activate O2 and results in inferior ORR activity. Zinc-air battery fabricated with Pt@Fe-NS-C as the cathode catalysts shows a large peak power density and a specific capacity of 806.7 mAh g−1Zn. This work offers an effective way to tailor the heterointerface of hybrid or supported electrocatalyst with optimized electronic structures towards advanced electrocatalysis.

Continuum strain of point defects

We propose a new Regularized Green's Function Method (RGFM) derived from electron densities and captures the disturbance due to point defects, successfully extending the elastic strain determination to the lattice scales. The RGFM circumvents the use of concentrated point forces, which results in unrealistic singular fields. The objective is to determine the force variations at the atomic scales from Ab-initio calculations as Quantum Mechanical Force Density (QMFD). QMFD encodes the information regarding the electronic structure of the defect since it is related to the gradients of electron wavefunctions generated from the Density Functional Theory (DFT) calculations. Once the QMFD is calculated, RGFM solves the force equilibrium equation via Fourier transforms to compute elastic fields. Therefore, the present treatment reflects the electronic structure of the atomic positions, hence the complex elastic deformations and interactions at short range, which represents a significant advancement compared to previous studies. The RGFM can also capture the long-range fields since it calculates the decay of the force fields away from the nuclei. Previous theories, such as the elastic dipole method, face two main shortcomings: they can only handle the long-range elastic fields, and contain an unphysical singularity at the center of the point defect. Our novel derivation of distributed forces addresses both challenges, i.e., it renders non-singular displacement and strain fields at the nuclei, and can also describe the elastic response accurately far from the nuclei center. The application of the method to the NV (nitrogen-vacancy) center in SiC is demonstrated in comparison with the elastic dipole theory, showing the advantages of the present methodology.

Resonant photoemission studies on Fe-Ni alloys

This paper investigates the electronic structure of Fe1−xNix (x = 0.32, 0.36, 0.4, 0.5) alloys employing high resolution photoelectron spectroscopy using synchrotron radiation. The valence bands and the core levels have been recorded at various on-resonance and off-resonance photon energies of Fe and Ni. An anti-resonance dip observed in the valence bands taken at Fe 3p → 3d resonance lies closer to the Fermi level compared to that observed at Ni 3p → 3d resonance, indicating larger density of itinerant Fe 3d electrons. Whereas, Ni 3d states are comparatively less itinerant in these alloys. The hybridization effects increase with increase of Fe content in the alloy system. The intensity of Ni L3M4,5M4,5 Coster-Cronig Auger transition observed with 853 eV (Ni 2p → 3d resonance) photon energy, drops down drastically for the Invar alloy (Fe0.64Ni0.36) as compared to other Fe-Ni alloys due to the existence of Ni in more than one local chemical surroundings as expected for Invar alloy. The electron-electron interaction energy (Udd) of Ni 3d shell is found to decrease with the decrease of Ni concentration. The 3p and 3s core levels of Fe and Ni recorded at 707 eV (Fe 2p → 3d resonance) are overwhelmed by various intense resonant Auger features such as Fe L3M2,3M2,3, Fe L3M2,3M4,5 and Fe L3M1M4,5. The 1S state of Fe L3M2,3M2,3 is greatly enhanced in the Invar alloy as compared to other alloys. The microscopic compositional in-homogeneity present in Invar alloy plays a crucial role in the screening of holes in Ni sites but does not contribute in screening the holes in Fe sites.

Performance assessment of spectroscopic measurements of hydrogen and beryllium influxes and ionization fronts in ITER divertor plasmas using the divertor impurity monitor

Characteristics of Hα and Be II emissions in ITER divertor plasmas have been evaluated, and the applicability of a spectroscopic evaluation method of influxes and ionization front positions by using the divertor impurity monitor (DIM) has been systematically verified for the first time based on plasma profile datasets with parameter scans. In addition, practical values of the ionization/photon factor (S/XB) for DIM to evaluate influxes have been determined. In attached divertor plasmas and the onset of plasma detachment, H influx integrated over the entire area of the divertor can be evaluated within ±30 % accuracy using Hα intensities measured by the DIM and S/XB value of 32, which is higher than the S/XB in most divertor plasmas in previous devices owing to high electron density. The ionization front position can also be evaluated to within a few mm by using peak channel position. However, when electron temperature further decreases from the detachment onset, the ionizing plasma component (caused by electron impact excitation) in the total Hα emission decreases and the spatial profiles of emission and ionization diverge, making spectroscopic evaluation difficult. In all conditions, Hα intensities could be measured with a more than sufficient number of photons at the required time resolution using the current DIM design. For Be influx integrated over the entire divertor area, it has been found that Be I is not suitable for the DIM since its intensity is similar to the background continuous spectra. Replacing Be I with Be II solves this problem. Even in detached divertor plasmas, it is possible to evaluate Be1+ ionization flux within ±30 % accuracy using Be II intensities and S/XB, the value of which depends on the DIM’s fields of view. However, the evaluated Be1+ ionization flux is lower than Be influx by more than 80 %, meaning that the evaluation of Be influx using Be II would be an underestimate. But, Be II can be measured with a more than sufficient number of photons.

Adjusting surface electron density of heterostructured NiCo LDH/MXene/NF material to improve its electrocatalytic performance in hydrogen evolution reaction

Hydrogen production by water electrolysis has attracted much interest in the field of renewable energy storage due to its high efficiency and low environmental impact. Catalytic activity of transition metal-based electrode materials can be effectively improved by adjusting their composition and/or structure. In this study, MXene nanosheets are electrophoretically deposited on foamed nickel (MXene/NF), and further coated by NiCo layered double hydroxides (LDH) nanosheets, also by electrophoresis, to obtain the heterostructured and highly conductive NiCo LDH/MXene/NF electrode, highly active in the hydrogen evolution reaction. Uniform surface distribution of three-dimensional interconnected nanosheets is demonstrated by SEM and TEM. The electrode surface is fully wet within 150 ms, indicating excellent hydrophilicity. The highly conductive NiCo LDH/MXene/NF electrode material exhibits a potential overshoot of 123 mV vs. RHE at a current density of 10 mA cm−2, with a Tafel slope of +86.6 mV dec−1. Long-term cyclic testing confirms good stability of the newly prepared electrode material in the hydrogen evolution reaction.

Role of metal (Fe(III), Zn(II), and Co(III)) and porphyrin in enhancing photocatalytic performance of MTCPP/TiO2 photocatalysts

Metal-porphyrin complexes modified TiO2 photocatalyst, called MTCPP@P25, shows excellent photocatalytic activity under visible light irradiation. Metal-porphyrin is successfully utilized to broaden the photo response range of TiO2 from ultraviolet (3.2 eV) to visible light (2.43 eV to 2.65 eV) resulting in significant enhancement of photocatalytic efficiency. MTCPP@P25 exhibited the higher photocatalytic activity than bare TiO2. Additionally, introduction of different metals, like Fe, Zn, and Co into porphyrin ring can effectively adjust the photocatalytic activity of MTCPP@P25 due to the increasing the electron density of porphyrin rings. The degradation order for MB followed as FeTCPP@P25≧ZnTCPP@P25 > CoTCPP@P25. This finding demonstrated that FeTCPP@P25 and ZnTCPP@P25 possess higher photo-excited electrons under visible irradiation resulting in higher photocatalytic performance. Based on the PL and EIS analysis, FeTCPP@P25 exhibited longest lifetime and fast electron transition compared to ZnTCPP@P25. The spent FeTCPP@P25 were reusable after three cycles, the efficiency remained at approximately 80 %.

Structural basis for the recognition of α-1,6-branched α-glucan by GH13_47 α-amylase from Rhodothermus marinus.

Glycoside hydrolase (GH) family 13 is among the main families of enzymes acting on starch; recently, subfamily 47 of GH13 (GH13_47) has been established. The crystal structure and function of a GH13_47 enzyme from Bacteroides ovatus has only been reported to date. This enzyme has α-amylase activity, while the GH13_47 enzymes comprise approximately 800-900 amino acid residues which are almost double those of typical α-amylases. It is important to know how different the GH13_47 enzymes are from other α-amylases. Rhodothermus marinus JCM9785, a thermophilic bacterium, possesses a gene for the GH13_47 enzyme, which is designated here as RmGH13_47A. Its structure has been predicted to be composed of seven domains: N1, N2, N3, A, B, C, and D. We constructed a plasmid encoding Gly266-Glu886, which contains the N3, A, B, and C domains and expressed the protein in Escherichia coli. The enzyme hydrolyzed starch and pullulan by a neopullulanase-type action. Additionally, the enzyme acted on maltotetraose, and saccharides with α-1,6-glucosidic linkages were observed in the products. Following the replacement of the catalytic residue Asp563 with Ala, the crystal structure of the variant D563A in complex with the enzymatic products from maltotetraose was determined; as a result, electron density for an α-1,6-branched pentasaccharide was observed in the catalytic pocket, and Ile762 and Asp763 interacted with the branched chain of the pentasaccharide. These findings suggest that RmGH13_47A is an α-amylase that prefers α-1,6-branched parts of starch to produce oligosaccharides.

Revealing the Critical Role of Global Electron Density Transfer in the Reaction Rate of Polar Organic Reactions within Molecular Electron Density Theory.

The critical role of global electron density transfer (GEDT) in increasing the reaction rate of polar organic reactions has been studied within the framework of Molecular Electron Density Theory (MEDT). To this end, the series of the polar Diels-Alder (P-DA) reactions of cyclopentadiene with cyanoethylene derivatives, for which experimental kinetic data are available, have been chosen. A complete linear correlation between the computed activation Gibbs free energies and the GEDT taking place at the polar transition state structures (TSs) is found; the higher the GEDT at the TS, the lower the activation Gibbs free energy. An interacting quantum atoms energy partitioning analysis allows for establishing a complete linear correlation between the electronic stabilization of the electrophilic ethylene frameworks and the GEDT taking place at the polar TSs. This finding supports Parr's proposal for the definition of the electrophilicity ω index. The present MEDT study establishes the critical role of the GEDT in the acceleration of polar reactions, since the electronic stabilization of the electrophilic framework with the electron density gain is greater than the destabilization of the nucleophilic one, making a net favorable electronic contribution to the decrease in the activation energy.

Gas Detecting Evaluation by Graphitic-based Silicon Carbide Nanosurface doped with Manganese: A Promising Device for Air Pollution Monitoring

Silicon carbide (SiC) as a direct broad bandgap semiconducting material has the potential to bring a considerable developement into optoelectronic and electronic devices. This article aims to investigate Physico-chemical properties of manganese (Mn)–doped graphene-like silicon carbide (SiC) monolayer sheet by the first-principles methods based on the density functional theory (DFT) for scavenging of CO, CO2, NO, NO2 gas molecules. The results recommend that the adsorption of these gas molecules on Mn-embedded SiC sheet monolayer is more energetically desired than that on the pristine ones. Gas molecules of CO, CO2, NO, NO2 have been adsorbed on the Mn site of doped SiC monolayer through the formation of covalent bonds. The assumption of chemical adsorptions has been approved by the projected density of states (PDOS) and charge density difference plots. Charge density difference calculations also indicate that the electronic densities were mainly accumulated on the adsorbate of CO, CO2, NO, NO2 gas molecules. The ability of SiC nanosheet for monitoring of CO, CO2, NO and NO2 is fluctuated by their selectivity and sensitivity through NMR, NQR, IR and HOMO/LUMO approaches which can represent the efficiency of Mn–doped SiC surface as the promising sensors toward air pollution detecting.

Ba5Gd3(BO3)6F: A new alkaline earth-rare earth fluoroborate with magnetocaloric effect

A new alkaline-earth and Gd3+ borate, Ba5Gd3(BO3)6F, has been successfully grown through a high-temperature solution method employing a BaF2-NaF-B2O3 flux. This compound crystallizes in the monoclinic space group P21/c with lattice parameters of a = 13.679(4) Å, b = 8.694(3) Å, c = 7.664(2) Å, β = 99.116(7)°, V = 899.9(5) Å3, and Z = 1. Its three-dimensional structure consists of the [Ba/GdO] polyhedra and [FBa4Gd2] octahedra layers. Magnetic analysis reveals that Ba5Gd3(BO3)6F exhibits a magnetocaloric effect with a maximum −ΔSm of 29.86 J kg–1 K–1 at 3 K and 9 T. Additionally, the thermal stability, along with infrared (IR) and ultraviolet–visible–near-infrared (UV–Vis–NIR) diffuse reflectance spectra, were thoroughly examined. First-principles calculations further explored the electronic band structure and densities of states.

Thermosphere UFKW Structures and Ionosphere Coupling as Observed by ICON

AbstractTwo ∼2‐week Ultra‐Fast Kelvin Wave (UFKW) events centered on days 158(203) during 2021 are investigated using winds, temperatures, plasma drifts and electron densities (Ne) measured by the Ionospheric CONnections (ICON) mission. Eastward‐propagating longitudinal wave‐1 (s = −1) structures with periods 2.5–4.0d, thought to mainly reflect Ultra‐Fast Kelvin waves (UFKWs), reveal ±45 ms−1 zonal winds (U) at 100 km for both events. Height‐latitude structures of the 3.0(3.5)d‐period UFKWs are obtained for the first time for both temperature (T, 94–120 km) and U (94–280 km) between 12°S and 39°N latitude. Maximum values of 36(29) ms−1 for U and 12(15)K for T occur at 102(106) km altitude and within ±3° latitude. The U‐T peak height displacement remains unexplained. Vertical wavelengths are in the range 36–43 km for both U and T during both events. Concurrent with the E‐region dynamo winds, topside (580 km) F‐region field‐aligned (±20–40 ms−1), meridional (±5–10 ms−1) and vertical (±5–10 ms−1) drift and Ne (±20–40%) 2.5–4.0d s = −1 variations are also measured. These key elements of atmosphere‐ionosphere (A‐I) coupling, contemporaneously measured for the first time, are relevant to testing the internal consistency of A‐I models. The mean wind propagation environment of the UFKWs is also quantified, showing no appreciable effects on the UFKW structures, consistent with modeling and theory.

Bayesian inference of electron density and ion temperature profiles from neutral beam and halo Balmer-α emission at Wendelstein 7-X

By employing Bayesian inference techniques, the full electron density profile from the plasma core to the edge of Wendelstein 7-X (W7-X) is inferred solely from neutral hydrogen beam and halo Balmer-α (Hα) emission data. The halo is a cloud of neutrals forming in the vicinity of the injected neutral beam due to multiple charge exchange reactions. W7-X is equipped with several neutral hydrogen beam heating sources and an Hα spectroscopy system that views these sources from different angles and penetration depths in the plasma. As the beam and halo emission form complex spectra for each spatial point that are non-linearly dependent on the plasma density profile and other parameters, a complete model from the neutral beam injection and halo formation through to the spectroscopic measurements is required. The model is used here to infer electron density profiles for a range of common W7-X plasma scenarios. The inferred profiles show good agreement with profiles determined by the Thomson scattering and interferometry diagnostics across a broad range of absolute densities without any changes to the input or fitting parameters. The time evolution of the density profile in a discharge with continuous core density peaking is successfully reconstructed, demonstrating sufficient spatial resolution to infer strongly shaped profiles. Furthermore, it is shown as a proof of concept that the model is also able to infer the main ion temperature profile using the same data set.

Degradation of fast-ion confinement depending on the neutral beam power in MHD quiescent LHD plasmas

We investigated the degradation of neutral beam (NB) fast-ion confinement depending on the NB power without magnetohydrodynamics instabilities in the Large Helical Device (LHD). In the LHD deuterium experiment, the neutron emission rate per NB power decreased by up to 20% with increasing injected NBs during a single discharge. Because there were no significant variations in the electron temperature and density, the NB shine-through rate, or the magnetic fluctuation due to the change in NB power, the reduction in the neutron emission rate indicates the degradation of the fast-ion confinement. In this paper, we formulated this degradation depending on the NB power and quantitatively estimated the degraded effective confinement time. In addition, we performed neutron emission rate simulations using the obtained effective confinement time. The simulation and experimental results were in good agreement, suggesting that the degraded effective confinement time is valid.

Axially Modified Square-Pyramidal CoN4-F1 Sites Enabling High-Performance Zn-Air Batteries.

Cobalt-nitrogen-carbon (Co-N-C) catalysts with a CoN4 structure exhibit great potential for oxygen reduction reaction (ORR), but the imperfect adsorption energy toward oxygen species greatly limits their reduction efficiency and practical application potential. Here, F-coordinated Co-N-C catalysts with square-pyramidal CoN4-F1 configuration are successfully synthesized using F atoms to regulate the axial coordination of Co centers via hydrothermal and chemical vapor deposition methods. During the synthesis process, the geometry structure of the Co atom converts from six-coordinated Co-F6 to square-pyramidal CoN4-F1 in the coordinatively unsaturated state, which provides an open binding site for the O2. The introduction of axial F atoms into the CoN4 plane alters the local atomic environment around Co, significantly improving the ORR activity and Zn-air batteries performance. In situ spectroscopy proves that CoN4-F1 sites strongly combine with the OOH* intermediate and facilitate the splitting of O-O bond, making OOH* readily decompose into O* and OH* via a dissociative pathway. Theoretical calculations confirm that the axial F atom effectively reduces the electronic density of the Co centers and facilitates the desorption of the OH* intermediate, efficiently accelerating the overall ORR kinetics. This work advances a feasible synthesis mechanism of axial ligands and provides a route to construct efficient high-coordination catalysts.

One electron oxidation-induced degradation of brominated flame retardants in electroactive membrane filtration system: Vital role of dichlorine radical-mediated process

Reactive chlorine species (RCS) are inevitably generated in electrochemical oxidation process for treating high-salinity industrial wastewater, thereby resulting in the competition with coexisting hydroxyl radicals (•OH) for oxidizing recalcitrant organic compounds. Due to the low redox potentials compared to •OH, the role of RCS has been often overlooked. In this work, we developed an electroactive membrane filtration (EMF) system that had a high removal efficiency (99.1 ± 0.5 %) for tetrabromobisphenol S (TBBPS) at low energy consumption (1.45 kWh m−3). Electron spin resonance spectroscopy and molecular probing tests indicated the predominance of Cl2•–, of which steady-state concentration (2.2 ×10−10 M) was extremely higher than those of ClO• (6.7 ×10−13 M), •OH (0.95 ×10−13 M), and Cl• (2.39 ×10–15 M). The density functional theory (DFT) and intermediate product analysis highlighted that Cl2•– radicals had a higher electrophilic attack efficacy than •OH radicals for inducing changes in the electron density of the carbon atoms around phenolic hydroxyl groups, thus leading to the generation of transition state intermediates and accelerating the degradation of TBBPS. Our work demonstrates the vital role of Cl2•– radicals for pollutant degradation, highlighting the potential of this technology for cost-effective removal of recalcitrant organic compounds from water and wastewater.

Electrophile-mediated ionic liquid strategy for transforming inert natural polymers into highly active iodine adsorbents

The separation and conversion of gas resources are crucial aspects of sustainable energy development. Developing general methods to overcome bottlenecks in gas adsorption and conversion within natural polymers is an urgent global concern. In this work, the use of ionic liquids as electrophiles was proposed, and the Ionic Liquid Solution Process (ILSP) was employed to prepare alginate polymers-based on natural polymers. ILSP achieved a remarkable 0-to-1 transformation in gaseous iodine adsorption, converting inactive alginic acid (∼0 g g−1 in saturated adsorption capacity) into a highly active iodine adsorbent (5.24 g g−1). It was revealed that electrophiles effectively regulated the electron cloud distribution of functional groups by replacing acidic protons on alginic acid, exerting a volumetric effect. This increased the electron density near the deprotonated carboxylic groups, enhancing the nucleophilicity of carboxylic groups. Consequently, it promoted halogen interaction between electron-rich oxygen atoms and iodine during adsorption, thereby improving the efficiency of charge transfer complex formation and polyiodide ion conversion. The ILSP strategy could provide guidance for the separation and conversion of gases such as iodine, carbon dioxide, and hydrogen.