Tunable Structure Research Articles

Thermoresponsive lignin-based polyelectrolyte complexes for the preparation of spherical nanoparticles: Application in pesticide encapsulation.

Lignin-based nanoparticles hold tremendous potential for various applications. This study proposes an innovative and straightforward method for the synthesis of spherical hybrid lignin nanoparticles (hy-LNPs) with a tunable pore structure. The approach involves blending lignin with 20wt% polyamide-epichlorohydrin, resulting in the formation of thermoresponsive lignin-based polyelectrolyte complexes. Upon heating to 80°C, the complexes undergo self-assembly into uniform spherical nanoparticles, achieving a minimum polydispersity index (PDI) as low as 0.08. The study reveals that nanoparticle formation involves simultaneous collapse and growth. During collapse, hy-LNPs become more compact, increasing their elastic behavior and inhibiting particle coalescence, which is critical for the formation of stable, low-dispersibility nanoparticles. Contrary to the expectation that collapse would reduce pore size, the average pore size of the hy-LNPs increases from 24.9nm to 35.8nm, likely due to the coalescence of smaller pores into larger ones. Furthermore, this straightforward method was applied to encapsulation β-cypermethrin, achieving an encapsulation efficiency of up to 95% and reducing the release rate in an ethanol-water solution from 90.6% to 63.1% over 5h. The thermoresponsive lignin-based polyelectrolyte complexes provide a new pathway for the controlled preparation of lignin-based nanoparticles. These nanoparticles demonstrate promising potential for applications such as drug encapsulation.

Rational Design Two‐ or Four‐Electron Reaction Pathway Covalent Organic Frameworks for Efficient and Selective Electrocatalytic Hydrogen Peroxide Production

Covalent organic frameworks (COFs) are often employed in oxygen reduction reactions (ORR) for hydrogen peroxide production due to their tunable structures and compositions. However, COF electrocatalysts require precise structural engineering, such as heteroatoms or metal site doping, to modulate the reaction pathway during the ORR process. In this work, we designed a tetraphenyl‐p‐phenylenediamine based COF electrocatalyst, namely TPDA‐BDA, which exhibited excellent two‐electron (2e) ORR performance with high H2O2 selectivity of 89.7% and faraday efficiency (FE) of 86.7%, higher than the reported COFs to date for H2O2 electrosynthesis. The theoretical and experimental results showed that the rate‐determining step energy barrier for reduction of O2 to OOH* intermediates was significantly reduced by replacing of bipyridine with biphenyl blocks, changing from 4e to 2e ORR reaction pathway. Also, the donor‐acceptor characteristic and narrower optical band gap of TPDA‐BDA COF enhanced the electronic conductivity and reduction ability, thus elevating the catalytic activity. As a result, the H2O2 selectivity was maintained above 85% even after 50 h stability test. This work reveals the structure‐property relationship of COF electrocatalysts and provides a new strategy for rational design of high performance 2e ORR COF electrocatalysts for efficient and selective hydrogen peroxide production.

Rational Design Two- or Four-Electron Reaction Pathway Covalent Organic Frameworks for Efficient and Selective Electrocatalytic Hydrogen Peroxide Production.

Covalent organic frameworks (COFs) are often employed in oxygen reduction reactions (ORR) for hydrogen peroxide production due to their tunable structures and compositions. However, COF electrocatalysts require precise structural engineering, such as heteroatoms or metal site doping, to modulate the reaction pathway during the ORR process. In this work, we designed a tetraphenyl-p-phenylenediamine based COF electrocatalyst, namely TPDA-BDA, which exhibited excellent two-electron (2e) ORR performance with high H2O2 selectivity of 89.7% and faraday efficiency (FE) of 86.7%, higher than the reported COFs to date for H2O2 electrosynthesis. The theoretical and experimental results showed that the rate-determining step energy barrier for reduction of O2 to OOH* intermediates was significantly reduced by replacing of bipyridine with biphenyl blocks, changing from 4e to 2e ORR reaction pathway. Also, the donor-acceptor characteristic and narrower optical band gap of TPDA-BDA COF enhanced the electronic conductivity and reduction ability, thus elevating the catalytic activity. As a result, the H2O2 selectivity was maintained above 85% even after 50 h stability test. This work reveals the structure-property relationship of COF electrocatalysts and provides a new strategy for rational design of high performance 2e ORR COF electrocatalysts for efficient and selective hydrogen peroxide production.

Linkage Microenvironment Modulation in Triazine-Based Covalent Organic Frameworks for Enhanced Photocatalytic Hydrogen Peroxide Production.

Covalent organic frameworks (COFs), known for the precise tunability of molecular structures, hold significant promise for photocatalytic hydrogen peroxide (H2O2) production. Herein, by systematically altering the quinoline (QN) linkages in triazine (TA)-based COFs via the multi-component reactions, six R-QN-TA-COFs are synthesized with identical skeletons but different substituents. The fine-tuning of the optoelectronic properties and local microenvironment of COFs is allowed, thereby optimizing charge separation and improving interactions with dissolved oxygen. Consequently, MeO-QN-TA-COF is customized to achieve an impressive rate of H2O2 production up to 7384µmolg⁻1h⁻1 under an air atmosphere in water without any sacrificial agents, surpassing most of the reported COF photocatalysts. Its high stability is demonstrated through five consecutive recycling experiments and the characterization of the recovered COF. The reaction mechanism for the H2O2 production is further investigated using a suite of quenching experiments, in situ spectroscopic analysis, and theoretical calculations. The enhanced photocatalytic H2O2 production over MeO-QN-TA-COF is through 2e⁻ oxygen reduction reaction and water oxidation reaction pathways. Overall, the crucial role of linkage microenvironment modulation in the design of COFs for solar-driven effective photocatalytic H2O2 production.

Thermoelectric transport properties of BaFe2Fe16O27 hexaferrites

Exploring new materials with earth-abundant and low-toxicity elements has been a long-standing goal in thermoelectrics. Hexaferrites, a family of environmentally friendly oxides, exhibit complex and tunable structures and excellent magnetic properties, but receive limited attention as potential thermoelectric materials. Here in this study, we systematically investigated the thermoelectric transport properties of W-type hexaferrites BaFe2Fe16O27 and the cobalt-substituted derivatives prepared by sintering in the nitrogen atmosphere. These materials exhibit an n-type conduction behavior and cobalt substitution can tune the electrical transport properties effectively. Low-temperature specific heat capacity analysis unravels the existence of low-energy optical phonons that contribute to damping the heat transport. Low room temperature thermal conductivity of 1.27 W m-1 K-1 is obtained, and the role of cobalt substitution on the thermal conductivity reduction is rationalized by the Debye-Callaway model. This study ‌enlightens the investigation of the thermoelectric transport properties of W-type hexaferrites BaFe2Fe16O27 and extends the scope of new thermoelectric compounds.

Covalent organic frameworks as superior adsorbents for the removal of toxic substances.

Developing new materials capable of the safe and efficient removal of toxic substances has become a research hotspot in the field of materials science, as these toxic substances pose a serious threat to human health, both directly and indirectly. Covalent organic frameworks (COFs), as an emerging class of crystalline porous materials, have advantages such as large specific surface area, tunable pore size, designable structure, and good biocompatibility, which have been proven to be a superior adsorbent design platform for toxic substances capture. This review will summarize the synthesis methods of COFs and the properties and characteristics of typical toxicants, discuss the design strategies of COF-based adsorbents for the removal of toxic substances, and highlight the recent advancements in COF-based adsorbents as robust candidates for the efficient removal of various types of toxicants, such as animal toxins, microbial toxins, phytotoxins, environmental toxins, etc. The adsorption performance and related mechanisms of COF-based adsorbents for different types of toxic substances will be discussed. The complex host-guest interactions mainly include electrostatic, π-π interactions, hydrogen bonding, hydrophobic interactions, and molecular sieving effects. In addition, the adsorption performance of various COF-based adsorbents will be compared, and strategies such as reasonable adjustment of pore size, introduction of functionalities, and preparation of composite materials can effectively improve the adsorption efficiency of toxins. Finally, we also point out the challenges and future development directions that COFs may face in the field of toxicant removal. It is expected that this review will provide valuable insights into the application of COF-based adsorbents in the removal of toxicants and the development of new materials.

Engineering active sites on N, S co-doped carbon matrix-encapsulated Ni-modified Co9S8 nanoparticles enabling efficient urea electrooxidation.

Interface engineering and electronic modulation enable precise tuning of the electronic structure, thereby maximizing the efficacy of active sites and significantly enhancing the activity and stability of the electrocatalyst. Herein, a hybrid material composed of Ni-modified Co9S8 nanoparticles ((Co, Ni)9S8) encapsulated within an N, S co-doped carbon matrix (SNC) and anchored onto S-doped carbonized wood fibers (SCWF) is synthesized using a straightforward simultaneous carbonization and sulfidation approach. Density functional theory (DFT) calculations reveal that the highly electronegative Ni element promotes electron cloud migration from Co to Ni, shifting the d-band center of Co closer to the Fermi level. This Ni modification induces a synergistic effect, optimizing the internal electronic structure of the central Co metal site and enhancing intermediate adsorption. Additionally, the N, S co-doped carbon encapsulation structure and the anchoring effect of SCWF protect (Co, Ni)9S8 nanoparticles from agglomeration during the catalytic process, resulting in excellent long-term operational stability. Consequently, an ultralow potential of 1.34V (vs reversible hydrogen electrode, RHE) is sufficient to achieve a current density of 50mA cm-2 with remarkable stability. The (Co, Ni)9S8@SNC/SCWF material exhibits superior urea oxidation reaction (UOR) activity and long-term stability compared to recently reported electrocatalysts. For overall urea splitting, an electrolyzed utilizing UOR instead of oxygen evolution reaction (OER) requires only 1.47V to reach 50mA cm-2 with excellent stability, which is 220mV less than the HER||OER system. This research sets the foundation for developing highly efficient UOR electrocatalysts, offering significant potential for advancing energy-efficient hydrogen generation from renewable sources.

Luminescent Lanthanide Infinite Coordination Polymers for Ratiometric Sensing Applications.

Ratiometric lanthanide coordination polymers (Ln-CPs) are advanced materials that combine the unique optical properties of lanthanide ions (e.g., Eu3+, Tb3+, Ce3+) with the structural flexibility and tunability of coordination polymers. These materials are widely used in biological and chemical sensing, environmental monitoring, and medical diagnostics due to their narrow-band emission, long fluorescence lifetimes, and excellent resistance to photobleaching. This review focuses on the composition, sensing mechanisms, and applications of ratiometric Ln-CPs. The ratiometric fluorescence mechanism relies on two distinct emission bands, which provides a self-calibrating, reliable, and precise method for detection. The relative intensity ratio between these bands varies with the concentration of the target analyte, enabling real-time monitoring and minimizing environmental interference. This ratiometric approach is particularly suitable for detecting trace analytes and for use in complex environments where factors like background noise, temperature fluctuations, and light intensity variations may affect the results. Finally, we outline future research directions for improving the design and synthesis of ratiometric Ln-CPs, such as incorporating long-lifetime reference luminescent molecules, exploring near-infrared emission systems, and developing up-conversion or two-photon luminescent materials. Progress in these areas could significantly broaden the scope of ratiometric Ln-CP applications, especially in biosensing, environmental monitoring, and other advanced fields.

Sprayed Aqueous Microdroplets for Spontaneous Synthesis of Functional Microgels.

The development of sustainable synthesis route to produce functional and bioactive polymer colloids has attracted much attention. Most strategies are based on the polymerization of monomers or crosslinking of prepolymers by enzyme- or cell-mediated reactions or specific catalysts in confined emulsions. Herein, a facile solution spray method was developed for spontaneous synthesis of microgels without use of confined emulsion, additional initiators/catalysts and deoxygenation, which addresses the challenges in traditional microgel synthesis. The polarization of air-water interface of the microdroplets can spontaneously split hydroxide ions in water to produce hydroxyl radicals, thereby initiating polymerization and crosslinking in air environment. This synthesis strategy is applicable to a variety of monomers and enables the fabrication of microgels with tunable chemical structures and variable sizes. Importantly, the synthesis route also allows for the preparation of enzyme- or drug-loaded microgels via the in-situ encapsulation, which also display high enzymatic activity and stimuli-triggered drug release. Therefore, this work not only is of great significance to macromolecular science and microdroplet chemistry, but also may bring new insights into cellular biochemistry and even prebiotic chemistry due to the prevalence of microdroplets in the environment.

Cesium-Based Molecular Perovskites With Superior Stability for High-Performance X-Ray Detection.

Metal-free molecular perovskites have shown great potential for X-ray detection due to their tunable chemical structures, low toxicity, and excellent photophysical properties. However, their limited X-ray absorption and environmental instability restrict their practical application. In this study, cesium-based molecular perovskites (MDABCO-CsX3, X = Cl, Br, I) are developed by introducing Cs+ at the B-site to enhance X-ray absorption while retaining low toxicity. The effects of halide modulation on the physical properties and device performance are systematically investigated. Among the variants, MDABCO-CsBr3 exhibited superior environmental stability, attributed to the optimal ionic radius and high chemical stability of Br-. This stability is further enhanced by a higher tolerance factor, which promotes a stable 3D cubic structure and suppresses ion migration within the crystal. Consequently, MDABCO-CsBr3-based X-ray detectors demonstrated reduced ionic migration, minimal dark current drift, and a stable current response under X-ray exposure, achieving a high sensitivity of 4124 µC Gy-1 cm-2 and a low detection limit of 0.45 µGy s-1. Moreover, the devices exhibit excellent thermal stability, operating effectively at temperatures up to 130 °C. These results highlight MDABCO-CsBr3 as a promising candidate for stable and efficient X-ray detection, expanding the applicability of molecular perovskites in advanced radiation detection technologies.

Applications of Nanomaterial Coatings in Solid-Phase Microextraction (SPME)

This review explores the advances in developing adsorbent materials for solid-phase microextraction (SPME), focusing on nanoparticles, nanocomposites, and nanoporous structures. Nanoparticles, including those of metals (e.g., gold, silver), metal oxides (e.g., TiO2, ZnO), and carbon-based materials (e.g., carbon nanotubes, graphene), offer enhanced surface area, improved extraction efficiency, and increased selectivity compared to traditional coatings. Nanocomposites, such as those combining metal oxides with polymers or carbon-based materials, exhibit synergistic properties, further improving extraction performance. Nanoporous materials, including metal–organic frameworks (MOFs) and ordered mesoporous carbons, provide high surface area and tunable pore structures, enabling selective adsorption of analytes. These advanced materials have been successfully applied to various analytes, including volatile organic compounds (VOCs), polycyclic aromatic hydrocarbons (PAHs), pesticides, and heavy metals, demonstrating improved sensitivity, selectivity, and reproducibility compared to conventional SPME fibers. The incorporation of nanomaterials has significantly expanded the scope and applicability of SPME, enabling the analysis of trace-level analytes in complex matrices. This review highlights the significant potential of nanomaterials in revolutionizing SPME technology, offering new possibilities for sensitive and selective analysis in environmental monitoring, food safety, and other critical applications.

Nanoscale Structure and Interfacial Electrochemical Reactivity of Moiré-Engineered Atomic Layers.

ConspectusThe electronic properties of atomically thin van der Waals (vdW) materials can be precisely manipulated by vertically stacking them with a controlled offset (for example, a rotational offset─i.e., twist─between the layers, or a small difference in lattice constant) to generate moiré superlattices. In recent years, the application of this "twistronics" concept to interfacial electrochemistry has unveiled unique pathways for tailoring the electrochemical reactivity. This Account provides an overview of our work that leveraged a suite of structural characterization methods, such as interferometric four-dimensional scanning transmission electron microscopy, dark-field transmission electron microscopy, and scanning tunneling microscopy, along with nanoscale electrochemical measurement techniques, namely, scanning electrochemical cell microscopy (SECCM), to uncover and dissect the profound impact of electrode electronic structure, controlled by interlayer twist, on interfacial electron transfer kinetics. At the heart of our findings is the discovery that moiré engineering enables the isolation of thermodynamically unfavorable stacking configurations, or topological defects, that substantially increase the standard electron transfer rate constant at the solid-liquid interface beyond what has been measured on conventional, nontwisted two-dimensional (2D) materials. This enhancement in interfacial reactivity can be attributed to the localization of a high density of electronic states within these particular sites in the superlattice, a similar effect to that which occurs upon incorporation of physical defects or vacancies in an electrode material but instead using an atomically pristine surface with a highly tunable structure. Throughout our studies, understanding the nuances of the relationship between the preimposed moiré twist angle and the observed electron transfer kinetics has heavily relied on the interrogation of additional factors such as spontaneous superlattice reconstruction and three-dimensional localization of electronic states, illustrating the importance of combining electrochemical measurements with both nanoscale structural probes and theoretical modeling for designing and optimizing moiré-engineered electrodes. The insight afforded by our efforts in this space continues to deepen our understanding of the fundamental mechanisms governing electron transfer at electrochemical interfaces at large and also points to the revolutionary prospect of twistronics for advancing electrochemical technologies. While our electrochemical studies have, so far, focused largely on graphene-based moiré materials, we also offer a perspective on the promise of transition metal dichalcogenide (TMD)-based moirés as candidates for highly versatile (photo)electrode surfaces. Accordingly, we provide a discussion of our studies on the structural relaxation observed in moiré superlattices of TMDs, and we summarize our work combining SECCM with field-effect electrostatic gating of TMDs to deconvolute the influences of material conductivity and intrinsic electron transfer kinetics from the overall electrochemical response of a semiconducting 2D material. Overall, this body of work establishes a distinctive foundation for the design of a wide range of materials with tailored properties that can provide crucial insights into interfacial charge transfer chemistry─potentially serving as platforms for sensing, energy conversion, and electrocatalysis─in addition to the emergent exotic correlated electron physics that originally ignited intense interest in moiré twistronics.

"Three-in-one" Analysis of Proteinuria for Disease Diagnosis through Multifunctional Nanoparticles and Machine Learning.

Urinalysis is one of the predominant tools for clinical testing owing to the abundant composition, sufficient volume, and non-invasive acquisition of urine. As a critical component of routine urinalysis, urine protein testing measures the levels and types of proteins, enabling the early diagnosis of diseases. Traditional methods require three separate steps including strip testing, protein/creatinine ratio measurement, and electrophoresis respectively to achieve qualitative, quantitative, and classification analyses of proteins in urine with long time and cumbersome operations. Herein, this work demonstrates a "three-in-one" protocol to analyze the urine composition by combining multifunctional nanoparticles with machine learning. This work constructs a sensor array to analyze proteinuria by employing nanoparticles with unique optical properties, outstanding catalytic activity, diverse composition, and tunable structure as probes. Different proteins interacted with nanoprobes differently and are classified by this sensor array based on their physicochemical heterogeneities. With the aid of machine learning, the urine composition is precisely detected for the diagnosis of bladder cancer. This protocol enables quantification and classification of 5 proteinuria in 10 min without any tedious pretreatment, showing proimisefor the comprehensive analysis of body fluid for early disease diagnosis.

Cover Feature: Enhancing Oxygen Reduction Reaction of Single‐Atom Catalysts by Structure Tuning (ChemSusChem 2/2025)

Cover Feature: Enhancing Oxygen Reduction Reaction of Single‐Atom Catalysts by Structure Tuning (ChemSusChem 2/2025)

Designing Chiral Organometallic Nanosheets with Room-Temperature Multiferroicity and Topological Nodes.

Two-dimensional (2D) room-temperature chiral multiferroic and magnetic topological materials are essential for constructing functional spintronic devices, yet their number is extremely limited. Here, by using the chiral and polar HPP (HPP = 4-(3-hydroxypyridin-4-yl)pyridin-3-ol) as an organic linker and transition metals (TM = Cr, Mo, W) as nodes, we predict a class of 2D TM(HPP)2 organometallic nanosheets that incorporate homochirality, room-temperature magnetism, ferroelectricity, and topological nodes. The homochirality is introduced by chiral HPP linkers, and the change in structural chirality induces a topological phase transition of Weyl phonons. The room-temperature magnetism arises from the strong d-p spin coupling between TM cations and HPP doublet anions. The ferroelectricity is attributed to the breaking of spatial inversion symmetry in the lattice structure. Additionally, by adjusting the type of TMs, these nanosheets show rich and tunable band structures. Notably, all predicted materials are topologically nontrivial, featuring a quadratic nodal point around the Fermi level.

The tunable electronic band structure of a AlP3/Cs3Bi2I6Cl3 van der Waals heterostructure induced by an electric field: a first-principles study.

Constructing van der Waals heterostructures (vdWHs) has emerged as an attractive strategy to combine and enhance the optoelectronic properties of stacked materials. Herein, by means of first-principles calculations, we investigate the geometric and electronic structures of the AlP3/Cs3Bi2I6Cl3 vdWH as well as its tunable band structure via an external electric field. The AlP3/Cs3Bi2I6Cl3 vdWH is structurally and thermodynamically stable due to the low binding energy and the small energy fluctuation at room temperature. Our band structure calculations demonstrate that the AlP3/Cs3Bi2I6Cl3 vdWH possesses an indirect bandgap and a type-I band alignment with the band edges both dominated by an AlP3 layer. Notably, the band alignment of heterostructures can be flexibly tuned between type-I and type-II by employing an external electric field. Besides, an indirect-to-direct bandgap transition can be observed by increasing the intensity of negative electric field. These results reveal the potential of the AlP3/Cs3Bi2I6Cl3 vdWH as a novel candidate material for the experimental designs of multi-functional devices.

Computational Simulations of Metal-Organic Framework Structures Based on Second Building Units

Metal-organic frameworks (MOFs) are crystalline porous materials composed of metal clusters and organic linkers with tunable structures and large surface areas, making them ideal for gas storage, separation, and catalytic applications. The development of new MOFs and the screening of MOFs after synthesis are usually experimental, but the cost and time required for experiments are very large. Interestingly, computational simulations have become a powerful tool to accelerate the discovery of new MOFs structures. This study focuses on the computational design of MOFs based on secondary building units (SBUs) and explores the effects of different linkers on their geometry and properties. Using techniques such as density functional theory (DFT) and machine learning (ML), MOFs can be screened for great gas adsorption and storage properties. The results show that computational methods have the potential to predict and optimize MOFs structures, but they are still limited in accurately simulating dynamic environmental conditions and complex chemical reactions. These findings help advance the design of MOFs with tailored properties for specific industrial applications.

Advanced Solid Lubrication with COK-47: Mechanistic Insights on the Role of Water and Performance Evaluation.

Metal-organic framework (MOF) nanoparticles have attracted widespread attention as lubrication additives due to their tunable structures and surface effects. However, their solid lubrication properties have been rarely explored. This work introduces the positive role of moisture in solid lubrication in the case of a newly described Ti-based MOF (COK-47) powder. COK-47 achieves an 8.5-fold friction reduction compared to AISI 304 steel-on-steel sliding under room air. In addition, COK-47 maintains a similarly low coefficient of friction (0.1-0.2) on various counterbodies, including Al2O3, ZrO2, SiC, and Si3N4. Notably, compared to other widely studied MOFs (ZIF-8, ZIF-67) and 2D materials powder (MXene, TMD, rGO), COK-47 exhibits the lowest friction (≈0.1) under the same experimental settings. Raman spectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy, energy dispersive X-ray spectroscopy, scanning electron microscope, and transmission electron microscopy indicate that the tribofilm is an amorphous film obtained by hydrolysis of COK-47 in the air with moisture. Density functional theory further confirms that water catalyzes the decomposition of COK-47, a crucial step in forming the tribofilm.This study demonstrates the idea of utilizing MOF and water-assisted lubrication mechanisms. It provides new insights into MOF applications in tribology and highlights interdisciplinary contributions of mechanical engineering and chemistry.

Tailoring Metal-Organic Frameworks for One-Step Separation of Alkane/Alkene/Alkyne Mixtures.

The purification of polymer-grade (>99.9%) olefins (mostly C2 and C3) represents a significant yet challenging process in petrochemical industry. The commonly employed method for hydrocarbon separation involves heat-driven distillations. Adsorptive separation based on porous solids offer the potential to purify olefins under ambient conditions, rendering considerable energy and environmental benefits. In particular, one-step purification of alkenes through selective adsorption of their corresponding alkanes and alkynes stands out as a promising technique. Notably, metal-organic frameworks (MOFs), possessing finely tunable pore structures (pore size/shape/internal chemical environment), hold great potential in this regard. In this review article, we outline recent progresses in the development of MOFs for one-step adsorptive purification of alkenes from alkane/alkene/alkyne ternary mixtures, with an emphasis on the rational regulation of pore structures for desired separation.

Emergence and tunability of Fermi-pocket and electronic instabilities in layered Nickelates.

Layered Nickelates have gained intensive attention as potential high-temperature superconductors, showing similarities and subtle differences to well-known Cuprates. This study introduces a modelling framework to analyze the tunability of electronic structures by focusing on effective orbitals and additional Fermi pockets, mimicking doping or external pressure qualitatively. It investigates the role of the $3d_{z^2}$ orbital in interlayer hybridization, which leads to the formation of a second pocket in the Fermi surface. The resulting effective model also predicts specific charge and spin susceptibility in the form of Lindhard susceptibility at wave vector $\mathbf{q_{0}} = (\pi, \pi)$, which can be tuned by doping or pressure. These results provide valuable insights into tunable orbital contributions and their influence on potential ordering and electronic instabilities in Layered Nickelates.