Interfacial Structure Research Articles

Coupling Manipulation of Interfacial Chemistry and Coordination Structure in Vanadium Oxides Enables Rapid Magnesium Ion Diffusion Kinetics.

Rechargeable magnesium batteries (RMBs) are a highly promising energy storage system due to their high volumetric capacity and intrinsic safety. However, the practical development of RMBs is hindered by the sluggish Mg2+ diffusion kinetics, including at the cathode-electrolyte interface (CEI) and within the cathode bulk. Herein, we propose an efficient strategy to manipulate the interfacial chemistry and coordination structure in oligolayered V2O5 (L-V2O5) for achieving rapid Mg2+ diffusion kinetics. In terms of the interfacial chemistry, the specific exposed crystal planes in L-V2O5 possess strong electron donating ability, which helps to promote the degradation dynamics of C-F/C-S bonds in the electrolyte, thereby establishing the inorganic-organic interlocking CEI layer for rapid Mg2+ diffusion. In terms of the coordination structure, the straightened V-O structure in L-V2O5 provides efficient ions diffusion path for accelerating Mg2+ diffusion in the cathode. As a result, the L-V2O5 delivers a high reversible capacity (355.3 mA h g-1 at 0.1 A g-1) and an excellent rate capability (161 mAh g-1 at 1 A g-1). Impressively, the interdigital micro-RMBs is firstly assembled, exhibiting excellent flexibility and practicability. This work gives deeper insights into the interface and interior ions diffusion for developing high-kinetics RMBs.

Low-Solvent-Coordination Solvation Structure for Lithium-Metal Batteries via Electric Dipole-Dipole Interaction.

Unveiling inherent interactions among solvents, Li+ ions, and anions are crucial in dictating solvation-desolvation kinetics at the electrode/electrolyte interface. Developing an electrolyte with a low ion-transport barrier and minimal solvent coordination in its interfacial solvation structure is essential for forming an anion-derived solid-electrolyte interface, a key component for high-performance Li-metal batteries. In this study, we harness electric dipole-dipole synergistic interactions to formulate an electrolyte with significantly reduced interfacial solvent coordination. Operando characterization and theoretical analysis reveal that 2-fluoropyridine (FPy) with high dipole preferentially adsorbs onto the Li metal surface. The adsorbed FPy molecule squeezes succinonitrile in the primary solvation sheath through steric hindrance, leading to the formation of an inorganic-rich interphase. Consequently, the introduction of FPy enhances the reversible capacity of the LiCoO2||Li cell, which maintains a capacity of 143 mAh g-1 after 500 cycles at a 1C rate. Moreover, the cycle life of LiCoO2 batteries with a limited supply of lithium extends from 120 cycles to over 200 cycles. These findings offer a strategy that can be applied broadly to design interfacial solvation structures for various metal-ion/metal-based batteries.

De Novo Design and Characterization of Amphiphilic Peptides with Basic Side Chains for Tailored Interfacial Chemistries.

Lysine-leucine (LK) peptides have been used as model systems and platforms for 2D material design for decades. LK peptides are amphiphilic sequences designed to bind and fold at hydrophobic surfaces through hydrophobic leucine side chains and hydrophilic lysine side chains extending into the aqueous subphase. The hydrophobic periodicity of the sequence dictates the secondary structure at the interface. This robust design makes them ideal candidates for controlling interfacial chemistry. This study presents the de novo design and characterization of two novel peptides: LRα14 and LHα14, which substitute lysine with arginine and histidine, respectively, in the helical LKα14 sequence. This modification is intended to expand the LK peptide platform to a new basic interfacial chemistry. We explore the stability of the new LRα14 and LHα14 designs with respect to changes in pH and salt concentration in bulk solution and at the interface using circular dichroism (UV-CD) and vibrational sum-frequency generation spectroscopy, respectively. Notably, the structural stability of the peptides remains unaffected across a wide range of pH and ionic strength values. At the same time, the variation of side-chain chemistry leads to a wide spectrum of interfacial water structures. By extension of the LK platform to include arginine and histidine, this study broadens the toolbox for designing tailored interfacial chemistries with applications in material and biomedical sciences.

Eliminating Hydrogen Fluoride through Piperidine-Doped Separators for Stable Li Metal Batteries with Nickel-Rich Cathodes.

Hydrofluoric acid (HF)-induced electrode and interfacial structure degeneration poses a significant challenge for high-voltage lithium metal batteries (LMBs). To address this issue, we propose a separator strategy that involves decorating a regular polyethylene (PE) separator with molecular sieves (TW) impregnated with piperidine (PI). The porous structure of the TW serves as a reaction chamber for PI and HF. As a result, the HF content in the controlled electrolyte with 500 ppm H2O (ELE-500) is notably reduced when using TW@PI-PE separators, thereby shielding nickel-rich cathodes from HF etching. Simultaneously, due to the hydrolysis of Li salts, and the inertness of PI towards H2O, a uniform lithium fluoride (LiF)-rich solid electrolyte interphase can form on the Li metal anode, further mitigating dendrite formation. The lifespan of the symmetric Li cell using the TW@PI-PE separator is doubled in ELE-500, exhibiting stable 500-hour cycles at 3 mA cm-2 and 3 mAh cm-2. Additionally, with the effective limitation of transition metal (TM) dissolution, the 4.6-V LMBs employing a LiNi0.8Co0.1Mn0.1O2 cathode maintain an 81% capacity retention over 100 cycles, even in ELE-1000. The innovative TW@PI system presented here offers a fresh perspective for future research aimed at eliminating HF in LMBs.

Crystal facet-modulated CuO/CeO2 catalysts for highly selective catalytic reduction of NO by CO

The selective catalytic reduction of NO by CO (CO-SCR) has a significant impact on the sustainable development of the environment. It is crucial to design efficient low-temperature catalysts to overcome the challenges associated with the industrialization of CO-SCR. Herein, we present CuO/CeO2 catalysts with three different exposed crystal facets of CeO2 ((100), (110), and (111)) synthesized by a hydrothermal method followed by impregnation for CO-SCR. Among the three CuO/CeO2 catalysts, CuO loaded on rod-like CeO2 catalyst (CuO/CeO2-R) with exposed CeO2 (110) crystal facet showed the highest catalytic performance in the CO-SCR reaction, achieving complete conversion of NO and 99 % conversion of CO at 250 °C. A series of characterizations reveal that the interaction between CuO and CeO2 with different crystal facets is crucial to regulating the interface structure and oxygen vacancy (Ov) content. During in situ DRIFTS analysis, it was found that the primary adsorption sites for CO are the Cu+-Ov-Ce3+ interface sites. The CuO/CeO2-R catalyst had the highest number of these sites. Furthermore, CuO/CeO2-R contained many Ov sites, which promote NO dissociation and enhance its catalytic efficiency. This study offers insights into CO-SCR catalysis and the design of efficient catalysts by manipulating the exposed crystal facets of support to enhance CO-SCR activity.

Preparation, microstructure and interfacial architecture of Ni-coated Ti3C2Tx reinforced Al6061 composites

Aluminum matrix composites (AMCs) reinforced by Ti3C2Tx are receiving increasing attention. However, the key constraints to its application breadth are the poor thermal stability and its poor interfacial bonding with aluminum (Al). In this paper, the surface modification of Ti3C2Tx is carried out by chemical Ni coating, and the effects of such reinforcement on the microstructure and interfacial architecture, as well as the mechanical properties of the Al6061 composites before and after Ni-coated are compared. The results show that Ni-coated Ti3C2Tx improves its dispersion in the Al melts and blocks the interfacial reaction between Al and Ti3C2Tx. HRTEM analysis shows that the dense Ni nanoparticles on the surface of Ti3C2Tx optimize its interfacial structure with Al. The mismatch of (102)Al3Ni//(1−11)Al is 4.3 %, indicating that the Al6061–2.5 wt% Ti3C2Tx@Ni (AT2.5@Ni) composites are strengthened by the form of Al3Ni-Al interfacial coherence. The yield strength, tensile strength, and elongation of AT2.5@Ni composites are 122.1 MPa, 223.4 MPa, and 5.2 %, which are 53.0 %, 57.9 %, and 2.0 % higher than that of Al6061 matrix, respectively. The better mechanical properties are mainly attributed to the strong Ti3C2Tx-Ni-Al3Ni-Al interfacial architecture formed in the composites, resulting in the effective load transfer from matrix to Ti3C2Tx.

Interface needle structure induced high-performance aluminum alloy/PPS hybrids

Direct joining molding of metals and polymers has received increasing attention in the field of lightweight fabrication. The aluminum alloy (Al) surface was modified by secondary anodizing and a special needle-like structure was formed on the Al surface. Then, the glass fiber-filling polyphenylene sulfide (PPS) was directly joined with Al by the hot pressing technique. The relationship between the interfacial structure and mechanical properties of Al/PPS hybrids was systematically investigated and discussed. The results showed that the generation of needle-like structures could improve the surface roughness and wettability, thus effectively improving the mechanical interlocking ability of the interface and forming the Al-O-C chemical bond with PPS. The maximum tensile strength of Al/PPS hybrids was 28.34 MPa, and their impact toughness (ak) reached 9.69 J/cm2. Even though the hybrids were exposed to a salt spray environment or 200 °C, the strength could still reach 25 MPa. This study has prepared a high-performance metal/plastic hybrid by secondary anodizing method, which can be applied in harsh environments.

DWBuilder: A code to generate ferroelectric/ferroelastic domain walls and multi-material atomic interface structures

DWBuilder: A code to generate ferroelectric/ferroelastic domain walls and multi-material atomic interface structures

2D Carbonaceous Materials for Molecular Transport and Functional Interfaces: Simulations and Insights.

ConspectusCarbon-based two-dimensional (2D) functional materials exhibit potential across a wide spectrum of applications from chemical separations to catalysis and energy storage and conversion. In this Account, we focus on recent advances in the manipulation of 2D carbonaceous materials and their composites through computational design and simulations to address how the precise control over material structure at the atomic level correlates with enhanced functional properties such as gas permeation, selectivity, membrane transport, and charge storage. We highlight several key concepts in the computational design and tuning of 2D structures, such as controlled stacking, ion gating, interlayer pillaring, and heterostructure charge transfer.The process of creating and adjusting pores within graphene sheets is vital for effective molecular separation. Simulations show the power of controlling the offset distance between layers of porous graphene in precisely regulating the pore size to enhance gas separation and entropic selectivity. This strategy of controlled stacking extends beyond graphene to include covalent organic frameworks (COFs) such as covalent triazine frameworks (CTFs). Experimental assembly of the layers has been achieved through electrostatic interactions, thermal transformation, and control of side chain interactions.Graphene can interface with ionic liquids in various forms to enhance its functionality. A computational proof-of-concept showcases an ion-gating concept in which the interaction of anions with the pores in graphene allows the anions to dynamically gate the pores for selective gas transport. Realization of the concept has been achieved in both porous graphene and carbon molecular sieve membranes. Ionic liquids can also intercalate between graphene layers to form interlayer pillaring structures, opening the slit space. Grand canonical Monte Carlo simulations show that these structures can be used for efficient gas capture and separation. Experiments have demonstrated that the interlayer space can be tuned by the density of the pillars and that, when fully filled with ionic liquids and forming a confined interface structure, the graphene oxide membrane achieves much higher selectivity for gas separations. Moreover, graphene can interface with other 2D materials to form heterostructures where interfacial charge transfers take place and impact the function. Both ion transport and charge storage are influenced by both the local electric field and chemical interactions.Fullerene can be used as a building block and covalently linked together to construct a new type of 2D carbon material beyond a one-atom-thin layer that also has long-range-ordered subnanometer pores. The interstitial sites among fullerenes form funnel-shaped pores of 2.0-3.3 Å depending on the crystalline phase. The quasi-tetragonal phases are shown by molecular dynamics simulations to be efficient for H2 separation. In addition, defects such as fullerene vacancies can be introduced to create larger pores for the separation of organic solvents.In conclusion, the key to imputing functions to 2D carbonaceous materials is to create new interactions and interfaces and to go beyond a single-atom layer. First-principles and molecular simulations can further guide the discovery of new 2D carbonaceous materials and interfaces and provide atomistic insights into their functions.

Multicomponent Interface and Electronic Structure Engineering in Ir-Doped CoMO4-Co(OH)2 (M = W and Mo) Enable Promoted Oxygen Evolution Reaction.

The core principles of multicomponent interface and electronic structure engineering are essential in designing high-performance catalysts for the oxygen evolution reaction (OER). However, combining these aspects within a catalyst is a significant challenge. In this investigation, a novel approach involving the development of hybrid Ir-doped CoMO4-Co(OH)2 (M = W and Mo) hollow nanoboxes was introduced, enabling remarkably efficient water oxidation electrocatalysis. Constructed from ultrathin nanosheet-assembled hollow nanoboxes, these structures boast a wealth of active centers for intermediate species, which in turn enhance both charge transfer and mass transport capabilities. Moreover, the compelling electronic and synergistic effects arising from the interaction between CoMO4 and Co(OH)2 significantly bolster OER electrocatalysis by facilitating efficient electron transfer. The introduction of Ir atoms serves to strategically adjust the electronic structure, fine-tune its electronic state, and operate as active centers to enhance OER electrocatalysis, thus diminishing the overpotential. This configuration results in Ir-CoWO4-Co(OH)2 and Ir-CoMoO4-Co(OH)2 exhibiting impressively low overpotentials of 252 and 261 mV, respectively, to 10 mA cm-2. Utilized in conjunction with the Pt/C catalyst in a two-electrode system for overall water splitting, a mere 1.53 V cell potential is needed to achieve the desired 10 mA cm-2 current density.

Thermal stability of 3D interface Cu/Nb nanolaminates

Nanocrystalline alloys are promising structural materials yet lack thermal stability in many cases. Recent work shows that interface structure has an outsize effect on the thermal behavior of nanostructured alloys. This work focuses on the role of controlled heterophase interface structure in the thermal evolution of model Cu/Nb nanolaminates. We introduce 3D interfaces containing nanoscale heterogeneities in all spatial dimensions between Cu and Nb, forming 3D Cu/Nb. TEM, nanoindentation, and DSC are used in tandem to establish thermal stability and to identify shifts in microstructure as a function of static annealing temperature. 3D interfaces are shown to survive annealing to 300 °C for 1 hr., while 3D Cu/Nb microstructure evolves to form low-density and voided regions correlating to the onset of layer pinch-off between 500 and 600 °C annealing temperatures. A diffusivity- and vacancy energetics-based mechanism is developed to explain void formation driven by 3D interface degradation at elevated temperature.

Hollow TiO2/Bi2MoO6 Janus-nanofibers for photo-reforming of antibiotics into carbon monoxide

Photo-reforming is an environmentally friendly technology for converting organic wastewater into carbon monoxide (CO), a potential energy source and an important industrial material. Achieving efficient photo-reforming of CO production remains a challenge due to the limitation on fast photogenerated carrier recombination. Here, the TiO2/Bi2MoO6 hetero-nanofibers are well-designed to possess unique Janus interface and ingenious hollow structure. The photo-deposition experiments demonstrated that the Janus binary interface can realize the directional migration of interfacial charges and the spatial separation of redox sites. Moreover, the hollow framework allows full exposure of the bicomponent to reactants and provides excellent optical absorption through multiple light scattering inside the tube, as evidenced by theoretical simulations via COMSOL Multiphysics. The photo-reforming yield of CO from 6000 ppm tetracycline hydrochloride (TCH) solution reaches 2.69 μmol∙g−1∙h−1 (corresponding degradation rate of 44.55 % after 5 h), about 1.44-fold superior to that of the TiO2/Bi2MoO6 core-shell hetero-nanofibers. 13C isotope tracing experiments showed that the efficiency of CO production in the photocatalytic TCH oxidation process is superior to that in carbon dioxide reduction process. Furthermore, when oxygen was introduced into the photocatalytic system, the photo-reforming CO yield from the TCH solution was significantly increased to 60.45 μmol∙g−1∙h−1, which was 22.47 and 5.12 times higher than in carbon dioxide and air atmosphere, respectively. This work provides a promising interfacial engineering to design efficient photo-reforming catalysts for energy production and environmental remediation.

Effects of diamond/Al interface structure evolution on interfacial thermal conductance during the carbonization of the Cr interlayer

The correlation between the interface structure evolution and the interfacial thermal conductance (ITC) in diamond particles reinforced Al matrix (diamond/Al) composites has been largely unclear. Herein, diamond/Cr/Al nanolayered structures with the interlayers in different carbonization stages were prepared via magnetron sputtering and annealing treatment to simulate the interfaces in diamond/Al composites. As the annealing time increases, the formed Cr3C2 phase progressively grows from discrete particles to a continuous layer at the diamond/Cr interface, during which the thickness of the carbide layer gradually increases. The formation of Cr3C2 phase improves the interface bonding and provides a more convenient channel for the heat exchange of hot carriers between the interfaces. Accordingly, the ITCs of the samples gradually increases with the annealing time and reaches the maximum value of 436.66 MW/(m2·K) at 120 min due to the formation of a thin and continues Cr3C2 layer. However, considering high interfacial thermal resistance was introduced at the interface when the Cr3C2 interlayer is too thick, the ITC of the sample decreased to 321 MW/(m2·K) as the annealing time extended to 240 min. In addition, Al8Cr5 phase is generated at the Al/Cr interface, but its impact on the ITC of the samples is negligible due to the small amount.

Boosting photocatalytic multi-VOCs decontamination over COF-based heterojunction via targeted construction of Ov–M–N charge channel (M = Ti, Zn, W, Ce) and –NH2 functionalization

Covalent organic frameworks (COF) based materials have exhibited excellent gas and visible light absorption capability, yet are very difficult to generate strong oxidative species for photocatalytic mineralization of volatile organic compounds (VOCs). Here, a facile in situ modulation protocol developed could enable the growth of MOx (M = Ti, Zn, W, Ce) with oxygen vacancy (Ov) on –NH2-functionalized COF surfaces to construct NH2–COF/Ov–MOx Z–scheme heterojunctions of excellent stability and efficiency (98.3 %) in photo-oxidation of formaldehyde, acetaldehyde, and acetone. The –NH2 functionalization enhanced VOC chemisorption via H-bond interaction. Moreover, the constructed fast charge transfer channel (Ov–M–N) at the interface not only promoted directional migration of photo-excited carrier, activated adsorbed O2 and H2O to quickly generate strong •OH, but also effectively inhibited injurant formation to realize the precise control of the conversion path. These findings offer new insights into customizing the interfacial structure of COF for indoor air purification.

Molecular dynamics characterization of the interfacial structure and forces of the methane-ethane sII gas hydrate interface

The nucleation of gas hydrates is of great interest in flow assurance, global energy demand, and carbon capture and storage. A complex molecular understanding is critical to control hydrate nucleation and growth in potential applications. Molecular dynamics is employed combined with the mechanical definition of surface tension to assess the surface stresses controlling interfacial behavior. We characterize the interfacial tension for sII methane/ethane hydrate and gas mixtures for different temperatures and pressures. We find that the surface tension trends positively with temperature in a balance of water-solid and water-gas interactions. The molecular dipole shows the complexities of water molecule behavior in small, compressed pre-melting layer that emerges as a quasi-liquid. These behaviors contribute to the developing knowledge base surrounding practical applications of this interface.

Interfacial Electronic Structure Engineering of NiCo2Se4 and NiTe2 Nanorods for Enhanced Hydrogen Evolution Reaction.

Finding the best candidates with outstanding electrocatalytic capabilities for the hydrogen evolution reaction is essential for realizing large-scale hydrogen production through electrolysis. In this study, we synthesized NiCo2Se4 (NCS) and NiTe2 (NT) nanorod arrays using a hydrothermal method. The confirmation of catalyst formation was achieved through X-ray diffraction analysis, electron microscopy imaging, and X-ray photoelectron spectroscopy. Leveraging the plentiful heterointerfaces and synergistic effects arising from the incorporation of bimetallic components, the NCS/NT electrocatalyst demonstrates remarkable efficacy in catalyzing the hydrogen evolution reaction. It achieves a minimal overpotential of 163 mV to attain a current density of 50 mA cm-2, showcasing exceptional catalytic activity. Further exploration has revealed that the engineering of heterogeneous interfaces and the morphology of nanorods not only guarantee the exposure of numerous active sites and expedite electron-mass transfer but also trigger electron modulation. Such modulation serves to fine-tune the adsorptive and adsorptive dynamics of reaction intermediates, culminating in an enhancement of the catalyst's inherent activity. This study illuminates the novel composite electrocatalyst with robust synergy, highlighting the pivotal role of their unique nanostructures in achieving high-efficiency hydrogen production via electrolysis.

Role of Interfacial Water Structure in the Electroreduction of NO over Cu2O.

The electrochemical nitric oxide reduction reaction (NORR), which utilizes water as the sole hydrogen source, has the potential to facilitate ammonia production while concurrently mitigating pollutants. However, limited research has been dedicated to characterizing the structure of interfacial water due to the challenges associated with probing this intricate system, impeding the development of more efficient catalysts for the NORR process. Herein, the Cu2O microcrystals with distinct exposed facets, including {100}, {110}, and {111}, are employed for the model catalysts to investigate interfacial water structure and intermediate species in the NORR process. The results from shell-isolated nanoparticle-enhanced Raman spectroscopy (SHINERS) indicated that the NORR performance in 0.1 M Na2SO4 (with heavy water as the solvent) was positively correlated to the proportion of hydrated Na+ ion water. In addition, a sequence of intermediates from the NORR, including *NOH, *NH, *NH2, and *NH3, was detected by employing a combination of multiple in situ characterization methods. Furthermore, in conjunction with experimental results and theoretical calculations, we revealed the potential reaction pathway of NORR. This study offers novel insights into the NORR mechanism and valuable guidance for the design of high-performance catalysts for ammonia production.

In-situ construction of g-C3N4/LaPO4 S-scheme heterostructure with nitrogen vacancy for boosting photocatalytic reduction of CO2

It is a realizable way to enhance the performance of photocatalytic reduction of carbon dioxide by constructing S-scheme heterojunctions due to its unique interfacial structures. In this article, g-C3N4/LaPO4 heterojunctions with surface nitrogen vacancies were prepared by in-situ one-pot hydrothermal method. The experimental results show that the generation rate of carbon monoxide produced via the best g-C3N4/LaPO4 heterojunction is 145.8μmol g−1 h−1, which is 4.0 times and 11.2 times as large as pure g-C3N4 and LaPO4, respectively. The heterojunction structure is characterized by UPS, in situ XPS and DFT calculation. The construction of S-scheme heterojunction can efficiently promote the separation of photogenerated electron holes and improve the redox capacity to boost photocatalytic activity. Furthermore, nitrogen vacancy in g-C3N4/LaPO4 heterojunction could provide more reaction active sites, which is conductive to the absorption, distribution and activation of CO2 and H2O molecules. In summary, this advancement opens up a promising avenue for the development of more potent photocatalysts, offering potential solutions for environmental and energy-related applications.

Effective charge separation in CdS@PANI heterostructure for ultrafast visible light-driven photocatalytic reduction of uranium(VI)

The efficient treatment of uranium-containing wastewater provides guarantee for sustainable development of nuclear energy. In this work, a heterogeneous interface structure for photocatalytic reduction of U(VI) was proposed by in-situ decoration of cadmium sulfide (CdS) nanoparticles on polyaniline (PANI) nanorods. The strong coupling between CdS and PANI precisely modulated the interface electronic structure, which promoted the photogenerated charge separation. Multiple spectroscopic characterizations revealed that the interfacial charge polarization with the electrons gathering at the CdS surface and the holes gathering at the PANI, facilitating the performance of photocatalytic reduction of U(VI) under visible light irradiation. The optimal CdS@PANI-10 shows ultrafast U(VI) reduction with efficiency of over 96 % in 5 min. Moreover, the photocatalytic reduction of U(VI) over CdS@PANI-10 can also be activated by direct natural sunlight irradiation. The improvement of catalytic activity of CdS@PANI nanocomposite is due to faster charge separation and migration at the interface between CdS and PANI, as well as the formation of Type-II heterojunction, which was also beneficial for suppressing the CdS photocorrosion. This work introduces a potential strategy to design advanced photocatalysts with efficient electrons and holes separation toward practical application in uranyl ion conversion.

Interfacial bond-slip of horizontally embedded CFRP strips and concrete considering the effect of the groove depth-to-width ratio

Concrete structures with shallow grooving depths require minimal adjustments to accommodate horizontal near-surface-mounted (NSM) carbon fibre-reinforced polymer (CFRP) strips. This method proves advantageous in minimizing damage to reinforced concrete structures, establishing itself as an effective reinforcement technique. To delve into the interfacial performance of the horizontal CFRP strip reinforcement, single shear pull-out testing is utilized to analyze and compare the interfacial bonding performances of concrete specimens reinforced with external bonding (EB), NSM, and horizontal NSM CFRP strips. The study also explores the influence of groove depth-to-width ratio on the interfacial bonding performance of horizontal NSM CFRP strip reinforcement. An interfacial bond-slip principal structure model of horizontal NSM CFRP strips and concrete is established, factoring in the groove depth-to-width ratio. Subsequently, the proposed interfacial bond-slip model is validated through finite element numerical simulation. The results show that the horizontal NSM CFRP strips reinforcement method exhibits commendable bonding capacity and interfacial bond stiffness. Within a specific range of groove widths, increasing the groove depth-to-width ratio diminishes the distance between the peak bond shear stress location and the loading end of the horizontal NSM CFRP strip-reinforced specimens. This improves the interfacial bonding performance between the horizontal NSM CFRP strips and concrete. The theoretical curve derived from the interfacial bond-slip principal structure model aligns well with test data across all reinforced specimens. FEM numerical simulations based on this interface bond-slip principal structure model demonstrate minor relative errors compared to experimental values. Furthermore, the theoretical distribution curve of CFRP strip strain closely follows the measured distribution curve. This model concerning the bond-slip principal structure of the interface between horizontal NSM CFRP strips and concrete, accounting for the groove depth-to-width ratio, exhibits applicability and stands as a valuable reference for practical engineering applications.