Mechanical Strain Research Articles

Electro‐Chemo‐Mechanical Domain to Enable Less Hysteretic Fast‐Charging

AbstractA new avenue by transforming the conventional electrochemical domain into an electro‐chemo‐mechanical domain is proposed to achieve less hysteretic fast‐charging based on the three pictures: i) electro‐chemo‐mechanics, ii) phase transition kinetics, and iii) ionic kinetics. Each concept is demonstrated leading to the electrochemical improvement using data‐driven computation and experimental analyses, and its novel framework is generalized based on alkali‐ion chalcogenide models. The mechanical strain lowers and delays the electrochemical yield point, which gives rise to extending the elastic region and enhancing the phase and ionic kinetics. This is experimentally verified with less hysteresis upon (dis)charging for all models. Implementing the electro‐chemo‐mechanical domain is central in alkali‐ion chalcogenide batteries and broadens its application in other rechargeable batteries, ultimately playing a critical role in providing practical fast‐charging solutions.

Prognostic bone fracture healing simulations in an ovine tibia model validated with in vivo sensors.

Bone fracture healing is a complex physiological process influenced by biomechanical and biomolecular factors. Mechanical stability is crucial for successful healing, and disruptions can lead to delayed healing or nonunion. Bone commonly heals itself through secondary fracture healing, which is governed by the mechanical strain at the fracture site. To investigate these phenomena, a validated methodology for capturing the mechanoregulatory process in specimen-specific models of fracture healing could provide insight into the healing process. This study implemented a prognostic healing simulation framework to predict healing trajectories based on mechanical stimuli. Sixteen sheep were subjected to a 3 mm transverse tibial mid-shaft osteotomy, stabilized with a custom plate, and equipped with displacement transducer sensors to measure interfragmentary motion over 8 weeks. Computed tomography scans were used to create specimen-specific bone geometries for finite element analysis. Virtual mechanical testing was performed iteratively to calculate strains in the callus region, which guided tissue differentiation and consequently, healing. The predicted healing outcomes were compared to continuous in vivo sensor data, providing a unique validation data set. Healing times derived from the in vivo sensor and in silico sensor showed no significant differences, suggesting the potential for these predictive models to inform clinical assessments and improve nonunion risk evaluations. This study represents a crucial step towards establishing trustworthy computational models of bone healing and translating these to the preclinical and clinical setting, enhancing our understanding of fracture healing mechanisms. Clinical significance: Prognostic bone fracture healing simulation could assist in non-union diagnosis and prediction.

Unobstructive and safe-to-wear watt-level wireless charger

A wearable microgrid that centralizes and distributes harvested energy across different body regions can optimize power utilization and reduce overall battery weight. This setup underscores the importance of developing cable-free wireless power transfer (WPT) systems for mobile and portable devices to eliminate the risks posed by wired connections, especially in dynamic and hazardous environments. We introduce a thin, stretchable, and safe hand band capable of watt-level wireless charging through the widely adopted Qi protocol operating at 130 kHz. The implementation of non-adhesive fabric encapsulation serves to protect the 50-μm-thin spiral copper antenna from mechanical strain, ensuring an overall hand band stretchability of 50%. We also create a stretchable “Ferrofabric”, characterized by a magnetic permeability of 11.3 and a tensile modulus of 75.3 kPa, that provides magnetic shielding for the antenna without compromising wearability. The “Ferrofabric” improves the coil inductance but induces core loss in AC application. By fully understanding and managing loss mechanisms such as the skin effect, proximity effect, core loss, and joule heating, we achieve a wireless charging efficiency of 71% and power delivery of 3.81 W in the kHz frequency range. Our WPT hand band is unobstructive to hand motion and can charge a handheld smartphone as fast as a desktop charger or power a battery-free chest-laminated e-tattoo sensor, with well-managed thermal and electromagnetic safety. Through a holistic electromagnetic, structural, and thermal design, our device culminates in a safe, rugged, and versatile solution for wearable WPT systems.

Research on innovative design of intelligent wearable products based on human machine engineering and bionics

Designing intelligent wearable products entails integrating human factors, engineering, and bionics to develop ergonomic, efficient and convenient products. Human-machine engineering is a discipline that addresses the integration between the user wearing a particular system and improving the relationship between the user and the system. At the same time, bionics is an approach that aims to mimic biological systems and structures to enhance the performance of a particular product. This research explores the possibility of integrating these specializations to design new and enhanced wearable technology products with improved usability, convenience, and flexibility for practical usage. A detailed analysis of human biomechanics and ergonomic requirements established design parameters to ensure that wearable devices could be seamlessly integrated into daily life without hindering user movement. Bionic principles, such as the flexibility of animal joints and the energy-efficient movements of natural organisms, were applied to optimize the mechanical and structural aspects of the devices. This approach enabled the creation of products that mimic the natural dynamics of the human body, offering improved responsiveness and functionality. Prototypes were developed based on human-centred design principles and evaluated using simulation and testing environments. Wearables such as exoskeletons, bright clothing, and health-monitoring devices were examined for their ability to adapt to various physical conditions and environmental changes. Results demonstrate a significant increase in user comfort, reduction in mechanical strain, and enhanced performance, validating the effectiveness of integrating human-machine engineering and bionics in wearable design.

Influence of natural hyoid bone position and surgical repositioning on upper airway patency: A computational finite element modeling study.

A validated finite element model of the rabbit UA was advanced and used to simulate changes in BHP and SHR, alone and in combination. The hyoid was displaced in cranial, caudal, anterior, anterior-cranial and anterior-caudal directions from 1-4mm. Model outcomes included UA collapsibility, measured using closing pressure (Pclose), cross-sectional area (CSA) and soft tissue mechanics (displacement, stress and strain). Graded BHP increments increased Pclose for all directions, and up to 29-43% at 4mm (relative to the original BHP). Anterior-based SHR decreased Pclose (~-115% at 4mm) and increased ΔCSA (~+35% at 4mm). Cranial SHR decreased ΔPclose (-29%), minimally affecting CSA. Caudal SHR increased ΔPclose (+27%) and decreased ΔCSA (-7%). Anterior-cranial and anterior-caudal SHR produced the highest stresses and strains. SHR effects on UA outcomes were dependent on BHP, with more caudal BHPs leading to less effective surgeries. BHP (phenotype) and SHR both alter UA outcomes, with effects dependent on hyoid displacement direction and magnitude. BHP influences the effectiveness of SHR in reducing UA collapsibility. These findings provide further insights into the hyoid's role in UA patency and suggest that considering the hyoid's baseline position and surgical repositioning direction/increment may help improve hyoid surgeries for OSA treatment.

Retraction Note: Osteocyte-derived exosomes induced by mechanical strain promote human periodontal ligament stem cell proliferation and osteogenic differentiation via the miR-181b-5p/PTEN/AKT signaling pathway.

Retraction Note: Osteocyte-derived exosomes induced by mechanical strain promote human periodontal ligament stem cell proliferation and osteogenic differentiation via the miR-181b-5p/PTEN/AKT signaling pathway.

Purinergic signaling through the P2Y2 receptor regulates osteocytes' mechanosensitivity.

Osteocytes' response to dynamic loading plays a crucial role in regulating the bone mass but quickly becomes saturated such that downstream induction of bone formation plateaus. The underlying mechanisms that downregulate osteocytes' sensitivity and overall response to loading remain unknown. In other cell types, purinergic signaling through the P2Y2 receptor has the potential to downregulate the sensitivity to loading by modifying cell stiffness through actin polymerization and cytoskeleton organization. Herein, we examined the role of P2Y2 activation in regulating osteocytes' mechanotransduction using a P2Y2 knockout cell line alongside conditional knockout mice. Our findings demonstrate that the absence of P2Y2 expression in MLO-Y4 cells prevents actin polymerization while increasing the sensitivity to fluid flow-induced shear stress. Deleting osteocytes' P2Y2 expression in conditional-knockout mice enabled bone formation to increase when increasing the duration of exercise. Overall, P2Y2 activation under loading produces a negative feedback loop, limiting osteocytes' response to continuous loading by shifting the sensitivity to mechanical strain through actin stress fiber formation.

Statistical evaluation of mechanical load on technicians during electric vehicle battery replacement using Python simulation

Electric vehicle (EV) battery replacement poses significant mechanical strain on technicians, increasing the risk of musculoskeletal disorders (MSDs). This study uses Python-based simulations and biomechanical modeling to evaluate the mechanical load distribution during the battery replacement process, focusing on joint stress and technician posture. The analysis covers different task phases, including battery removal, transport, and installation, with statistical methods used to assess forces and torques applied to critical joints. The results indicate that the removal and installation phases exert the highest mechanical loads on the lower back and shoulders. The study suggests ergonomic interventions such as workstation redesign, lifting tools, and improved posture techniques to reduce the risk of injury and enhance the safety and efficiency of EV maintenance tasks.

Spin-valley locked topological phase transitions in reversible strain-tailoring honeycomb motifs

Using an effective low-energy k·p model on the frontier px,y orbitals, we establish a general phase diagram of spin-valley locked band inversion by introducing a mechanical strain field into nonmagnetic honeycomb motifs with robust spin–orbit coupling and intrinsically broken inversion symmetry. Using first-principles calculations, we realize such multiple topological phase transitions in a strained InTe monolayer within experimental reach with the Weyl semimetal as the nontrivial boundary state at two critical strains. The massless Weyl fermions endow the spin and valley Hall effects with ultrafast and dissipationless transport over a broad low-energy window. The valley selective circular dichroism can be regulated by strain-induced band inversion. A crossover between the topologically trivial and nontrivial regimes with sizable bandgaps makes InTe suitable for room-temperature (RT) topological strain-effect transistors. Our work not only demonstrates a fundamental mechanism for exploring tunable topological states and valley physics but also provides a potential platform for realizing many exotic phenomena and RT quantum devices.

Enhanced Sodium Storage in MXene Transition Metal Chalcogenides Anode through Dual Molten Salt Etching

Referred to as potential options for anodes in sodium-ion batteries, transition metal chalcogenides (TMCs) exhibit unique electronic and structural characteristics. However, the limited electrical conductivity inherent in them poses a hindrance to electron transport, while their tendency to undergo volumetric expansion during cycling exacerbates structural instability, thereby imposing constraints on practical applications. Herein, a dual molten salt etching strategy followed by a sulfidation-selenidation process was employed to anchor multi-component sulfides FeS2/NiS and FeSe/NiSe onto conductive Ti3C2Tx MXene, achieving superior sodium storage performance. Owing to the enhanced Na⁺ and faster kinetics of electronic transport, mechanical strain is effectively reduced, and strong covalent interactions are formed at the interface, significant enhancement in the cycling stability is observed for the anodes of Ti3C2Tx@FeS2/NiS and Ti3C2Tx@FeSe/NiSe (with specific capacities of 309.4 and 162.6 mAh g−1, respectively, after 1000 cycles at 5 A g−1, with a former retention capacity rate that can reach as high as 87.8%) and exceptional rate performance (252.1 and 207.8 mAh g−1, respectively, at 8 A g−1). Furthermore, full cells assembled by pairing Ti3C2Tx@FeS2/NiS and Ti3C2Tx@FeSe/NiSe with Na3V2(PO4)3 cathodes also demonstrate excellent cycling performance, with both configurations achieving up to 500 cycles. The suggested approach enables efficient utilization of byproducts from Lewis acidic etching, expanding possibilities for synthesizing high-performance anodes in sodium-ion batteries consisting of MXene and TMCs.

Investigation of Structural, Electronic, Optical, and Photocatalytic Properties of new double perovskites Cs2InSbX6 (X = F, Cl) under Strain Effects

Inorganic halide perovskites, such as Cs₂InSbX₆ (X = F, Cl), have shown potential for next-generation solar cells and photocatalysis due to their light-capturing properties. However, concerns about stability and toxicity in lead-based perovskites drive the need for eco-friendly alternatives like antimony-based compounds. This study employed Density Functional Theory (DFT) calculations to explore how mechanical strain affects the electronic and optical properties of Cs₂InSbX₆. Without strain, Cs₂InSbF₆ and Cs₂InSbCl₆ exhibit bandgaps of 2.06 eV and 1.20 eV, respectively. We investigated how strain ranging from -5% to +5% influences these materials' performance in optoelectronic and photocatalytic applications. Notably, negative strain enhances absorption and quantum efficiency for both compounds, particularly Cs₂InSbCl₆, which shows superior absorption in the visible spectrum. Our findings suggest that Cs₂InSbCl₆, with a tunable bandgap and favorable optical characteristics under strain, is a promising candidate for environmentally friendly applications, including solar cells and photocatalysis.

Exploring the ultramicropore structure evolution and the methane adsorption of tectonically deformed coals in molecular terms

The mechanical deformation of coals occurring extensively during the geological period (tectonically deformed coals) can directly alter their pore structures and then the storage of coalbed methane. This study in-situ investigated the effects of different mechanical deformations on the ultramicropore structure and the methane adsorption of coal molecules using molecular simulations. The results show that the shear deformation (< 0.23 GPa) of coals was much easier than the compression (~ 20 GPa). Further, the shear deformation can increase the void fraction (200%) and the surface area (30%) of coal molecules, comparing to the reduction of them by the compressive deformation. Accordingly, compression is not benefited to the methane storage (only remaining 14-22% adsorption amount). While, the shear deformation of coals can increase the methane adsorption amount (reaching 42–50 mmol/g). The ~ 7.5 Å is a key pore size to evaluate the effect of the shear deformation on the methane adsorption amount. Also, the adsorption sites for methane depends on the deformation mode of coals (compression: heteroatoms; shear: C atoms). Overall, the strained Wiser (bituminous, medium-rank) coal shows relatively superiority in the methane storage, while the methane adsorption of Wender (lignite, low-rank) coal is much more sensitive to the mechanical strain.

Porous PDMS-ZnO Wearable Gas Sensor for Acetone Biomarker Detection and Breath Analysis.

In response to the growing demand for global health monitoring, we report a nonintrusive health detection method using a compact, conformal wearable ultraviolet (UV)-assisted gas-sensing system based on an intrinsically flexible porous polydimethylsiloxane (PDMS)-zinc oxide (ZnO) composite layer (PPZL) for the breath acetone (BrAce) detection and breath event analysis. The enhanced acetone response is attributed to the synergistic effect of UV irradiation and the high surface area of the porous structure, which also improves the mechanical robustness. The UV-assisted wearable sensor reliably detects acetone concentrations ranging from 1 to 100 ppm at room temperature under 4.05 mW/cm2 UV intensity, even under mechanical strains such as a bending radius of 5 mm and 60% tensile strain. It accurately analyzes different breathing patterns (12-20 breaths per minute) and BrAce concentrations, maintaining a stable performance over 20 days with less than 5% signal degradation. The sensor exhibits response and recovery times of average 110-150 and 130-180 s, respectively, and maintains a consistent 3 ppm BrAce response under varying humidity levels up to 70% relative humidity, ensuring accurate detection of BrAce concentrations during real-world breath tests. Additionally, the sensor targets only specific gases, and the sensor's selectivity is not a key concern. This flexible acetone gas sensor offers a portable solution for health management and a fabrication method for designing flexible metal oxide materials.

Spectroscopic Evidence of Ultrafast Topological Phase Transition by Light-Driven Strain.

Enabling reversible control over the topological invariants, transitioning them from nontrivial to trivial states, has fundamental implications for quantum information processing and spintronics. It offers a promising avenue for establishing an efficient on/off switch mechanism for robust and dissipationless spin-currents. While mechanical strain has traditionally been advantageous for such manipulation of topological invariants, it often comes with the drawback of in-plane fractures, rendering it unsuitable for high-speed, time-dependent operations. This study employs ultrafast optical and THz spectroscopy to explore topological phase transitions induced by light-driven strain in Bi2Se3. Bi2Se3 requires substantial strain for Z2 switching. Our observations provide experimental evidence of ultrafast switching behavior, demonstrating a transition from a topological insulator with spin-momentum-locked surfaces to hybridized states and normal insulating phases under ambient conditions. Notably, applying light-induced strong out-of-plane strain effectively suppresses surface-bulk coupling, facilitating the differentiation of surface and bulk conductance even at room temperature─significantly surpassing the Debye temperature. We expect various time-dependent sequences of transient hybridization and manipulation of topological invariant through photoexcitation intensity adjustments. The sudden surface and bulk transport alterations near the transition point enable coherent conductance modulation at hypersound frequencies. Our findings on the potential of light-triggered ultrafast switching of topological invariants hold promise for high-speed topological switching and its related applications.

Prognostic implications of right and left atrial strain in diabetes mellitus without coronary artery diseases

Abstract Background 2D- speckle-tracking echocardiography (2D-STE) has recently be used to assess subclinical myocardial dysfunction, however its utility in diabetes mellitus (DM) has been specifically focusing on the longitudinal systolic function of the left ventricle (LV). Aim To assess the prognostic relation between left (LA) and right (RA) systolic and diastolic strain parameters with clinical outcome in patients with DM. Methods Of the initial 1721 diabetic patients screened for this study only 502 consecutive patients with DM were eligible and retrospectively enrolled, and 2D-STE strain parameters assessed on the 2D-TTE images. All patients were prospectively followed for development of new outcome/cardiac events which included hospitalization for acute HF, CVS-related death, new onset AF/AFI, stroke, heart transplantation, or need for ventricular assist device implantation. The 2D-STE analysis was used to measure the peak LA (longitudinal, radial and circumferential) and RA (longitudinal) strain. The long-term outcomes were evaluated for all-cause CVS outcomes and recurrent hospitalization. Results For the 502 eligible patients [mean age:58±4; 58 % male sex], 221 reached the combined endpoint. Mean follow-up was 1.1±0.6years. Both LA and RA strain parameters were significantly impaired compared to normal standard references (p&amp;lt;.0001), the RA was more impaired than LA strain parameters. The best performance parameters predictive of CVS (combined outcomes) events were for LA&amp;gt;RA systolic and diastolic strain, global RA systolic and diastolic strain (AUC: 0.74 and 70) and global LA longitudinal systolic and diastolic strain (AUC: 0.86 and 0.77). The strongest association between the degree of atrial myocardial mechanical dysfunction and risk of cardiovascular events was more evident for LA strain (free wall &amp;gt; global strain) and lesser extend to RA strain. More myocardial mechanical strain impairments were demonstrated in those with higher left atrial volume index (LAVI), NYHA ≥II class, significantly impaired diastolic function, lower strain values (LA, LV, RV), and tricuspid annular plane systolic excursion (TAPSE), p&amp;lt;.001). The LA (free wall) strain impairment was the independent predictors of combined outcome (including survival) after multiple adjustments using different models. Conclusion Patients with DM, LA strain parameters are stronger predictors of outcome than RA and other conventional parameters and should be included for regular clinical screening DM patients as these parameters provide a stronger prognostic stratification.

Magnetic ordering and dynamics in monolayers and bilayers of chromium trihalides: atomistic simulations approach

We analyze magnetic properties of monolayers and bilayers of chromium iodide, \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {CrI}_3$$\\end{document}, in two different stacking configurations: AA and rhombohedral ones. Our main focus is on the corresponding Curie temperatures, hysteresis curves, equilibrium spin structures, and spin wave excitations. To obtain all these magnetic characteristic, we employ the atomistic spin dynamics and Monte Carlo simulation techniques. The model Hamiltonian includes isotropic exchange coupling, magnetic anisotropy, and Dzyaloshinskii-Moriya interaction. As the latter interaction is relatively weak in pristine \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {CrI}_3$$\\end{document}, we consider a more general case, when the Dzyaloshinskii-Moriya interaction is enhanced externally (e.g. due to gate voltage, mechanical strain, or proximity effects). An important issue of the analysis is the correlation between hysteresis curves and spin configurations in the system, as well as formation of the skyrmion textures.

Multiscale modeling of metal-hydride interphases—quantification of decoupled chemo-mechanical energies

The quantification of interphase properties between metals and their corresponding hydrides is crucial for modeling the thermodynamics and kinetics of the hydrogenation processes in solid-state hydrogen storage materials. In particular, interphase boundary energies assume a pivotal role in determining the kinetics of nucleation, growth, and coarsening of hydrides, alongside accompanying morphological evolution during hydrogenation. The total interphase energy arises from both chemical bonding and mechanical strains in these solid-state systems. Since these contributions are usually coupled, it is challenging to distinguish via conventional computational approaches. Here, a comprehensive atomistic modeling methodology is developed to decouple chemical and mechanical energy contributions using first-principles calculations, of which feasibility is demonstrated by quantifying chemical and elastic strain energies of key interfaces within the FeTi metal-hydride system. Derived materials parameters are then employed for mesoscopic micromechanical analysis, predicting crystallographic orientations in line with experimental observations. The multiscale approach outlined verifies the importance of the chemo-mechanical interplay in the morphological evolution of growing hydride phases, and can be generalized to investigate other systems. In addition, it can streamline the design of atomistic models for the quantitative evaluation of interphase properties between dissimilar phases and allow for efficient predictions of their preferred phase boundary orientations.

Stretchable printed circuit boards using a silicone substrate of variable stiffness and conventional PCB fabrication methods

Abstract Stretchable printed circuit boards (S-PCBs) offer unique advantages over rigid PCBs such as enabling conformability to changing environments and ergonomic designs with increased lifetime under dynamic loads. This study introduces an innovative fabrication method and a cost-effective solution for rapid prototyping S-PCBs using commercially available materials. By utilizing silicone substrates with different levels of stiffness and structured copper sheets for electrical connections, the S-PCBs feature ‘stiff islands’ embedded in a flexible base material. This fabrication method helps alleviate mechanical strain on strain-sensitive components while allowing local deformation of the S-PCB. The proposed fabrication method does therefore enable to integrate surface mount device components into S-PCBs and facilitates complex circuit designs while maintaining stretchability and fatigue resistance. Through material characterization, video strain analysis, as well as quasi-static and cyclic loading tests, this article demonstrates the efficacy of our approach. Based on the experimental results, we provide insights into failure modes and suggest design principles to further enhance the durability of S-PCBs fabricated with our method. We then conclude by presenting a soft wearable S-PCB demonstrator. The S-PCBs fabricated with this method withstood mechanical strains up to 100% and cyclic loads with 30% strain up to 625 cycles. The results are very promising for applications in soft robotics, wearable devices, and soft sensors and actuators. Overall, our study offers a comprehensive toolkit for fast S-PCB prototyping, paving the way for advancements in stretchable electronics with a high degree of complexity and stretchability.

Hydroxypropyl Cellulose-Based Meter-Long Structurally Colored Fibers for Advanced Fabrics.

Structurally colored fibers are attractive alternatives to chemically colored fibers due to their rich optical properties, color stability, and environmental friendliness. However, the fabrication of structurally colored fibers using cost-effective raw materials with the possibility to scale up remains challenging. Here, a simple and scalable approach is developed to fabricate continuous meter-long structurally colored fibers exhibiting brilliant structural colors across the visible spectrum and helix orientation-dependent polarization states. The fibers are fabricated by extrusion of concentrated aqueous solutions of chemically crosslinked hydroxypropyl cellulose (HPC). The wavelengths and polarization states can be tuned by solution concentration, relaxation time, and collector's surface energy. The HPC-based structurally colored fibers display excellent optical stability to mechanical straining, repeated drying/water impregnation, and prolonged heating at 150°C. It is demonstrated that the HPC-based structurally colored fibers can be woven into structurally colored fabrics with wavelength- and polarization-coded optical patterns. The current work presents a strategy to tune the chiral nematic order, which constitutes an important step toward mass production of structurally colored fibers with stable and rich optical properties using easily available raw materials.

A density functional study of type I to type II crossover in g-C3N4/CoN4 heterostructure in presence of external perturbation

Herein, we report the impact of external perturbation on the photocatalytic performance of g-C3N4/CoN4 heterojunction and concomitant transition from type-I to type-II. The state-of-the-art theoretical modeling presented here is the first study on dynamic role of strain and electric field on g-C3N4/CoN4 heterojunction and its potential application as a solar-driven water splitting reaction. Utilizing the density functional theory (DFT) calculation, V. N. et al. recently reported the photocatalytic activity of g-C3N4/MN4 (M = Mn, Fe and Co) heterojunction [J. Comput. Chem. 2024, 45, 2518-2529, https://doi.org/10.1002/jcc.2746412] and subsequently established g-C3N4/CoN4 as a type I heterojunction for photocatalytic water splitting reaction [Phys. Chem. Chem. Phys. 2024, 26, 21117–21133]. In the present study, we applied external perturbation in the form of mechanical strain, electric field and evaluated the electronic structure properties of the system along with the detailed examination of concomitant optical and magnetic properties of g-C3N4/CoN4 heterojunction. The switching of photocatalytic feature from type I to type II originates due to the crossover between valence band maxima (VBM) of g-C3N4 and CoN4 in presence of external perturbation. Notably, the resulting system acts as a type II photocatalyst for water splitting reaction while applying compressive (negative) strain of −2 to −6% and an electric field of −0.5 and +0.5 V/Å, respectively. Accumulation of photogenerated electrons and holes separately in g-C3N4 and CoN4 units confirms the perceptible separation of charge carriers and thereby reduces the recombination compared to un-perturbed system. A red-shifted absorption maximum (689 nm), superior charge transfer (0.9e), and clear separation of photogenerated electrons and holes are the origin of enhanced photocatalytic efficiency of g-C3N4/CoN4 heterojunction in the presence of external perturbation. We believe that our work will provide enough evidence to the experimentalists to achieve such a system in practice leading to human-friendly applications.