Polyolefin-Based Smart Self-Healing Composite Coatings Modified with Calcium Carbonate and Sodium Alginate.

Corrosion-related damage incurs significant capital costs in many industries. In this study, an anti-corrosive pigment was synthesized by modifying calcium carbonate with sodium alginate (SA), and smart self-healing coatings were synthesized by reinforcing the anti-corrosive pigments into a polyolefin matrix. Structural changes during the synthesis of the anti-corrosive pigment were examined using scanning electron microscopy (SEM) and X-ray diffraction (XRD) analysis. Moreover, thermal gravimetric analysis confirmed the loading of the corrosion inhibitor, and electrochemical impedance spectroscopic analysis revealed a stable impedance value, confirming the improved corrosion resistance of the modified polyolefin coatings. The incorporation of the anticorrosive pigment into a polyolefin matrix resulted in improved pore resistance properties and capacitive behavior, indicating a good barrier property of the modified coatings. The formation of a protective film on the steel substrate reflected the adsorption of the corrosion inhibitor (SA) on the steel substrate, which further contributed to enhancing the corrosion resistance of the modified coatings. Moreover, the formation of the protective film was also analyzed by profilometry and elemental mapping analysis.

Multilayered LDH/Microcapsule Smart Epoxy Coating for Corrosion Protection.

A multilayered smart epoxy coating for corrosion prevention of carbon steel was developed and characterized. Toward this direction, as a first step, zinc-aluminum nitrate-layered double hydroxide (Zn/Al LDH) was synthesized using the hydrothermal crystallization technique and then loaded with dodecylamine (DOD), which was used as an inhibitor (pH-sensitive). Similarly, the synthesis of the urea-formaldehyde microcapsules (UFMCs) has been carried out using the in-situ polymerization method, and then the microcapsules (LAUFCs) were encapsulated with linalyl acetate (LA) as a self-healing agent. Finally, the loaded Zn/Al LDH (3 wt %) and modified LAUFCs (5 wt %) were reinforced into an epoxy matrix to develop a double-layer coating (DL-EP). For an exact comparison, pre-layer epoxy coatings comprising 3 wt % of the loaded Zn/Al LDH (referred to as LDH-EP), top-layer epoxy coatings comprising 5 wt % linalyl acetate urea-formaldehyde microcapsules (referred to as UFMLA COAT), and a blank epoxy coating (reference coating) were also developed. The developed epoxy coatings were characterized using various techniques such as XRD, XPS, BET, TGA, FTIR, EIS, etc. Electrochemical tests performed on the synthesized coatings indicate that the DL-EP demonstrates improved self-healing properties compared to LDH-EP and UFMLA COAT.

Synergistic Behavior of Polyethyleneimine and Epoxy Monomers Loaded in Mesoporous Silica as a Corrosion-Resistant Self-Healing Epoxy Coating.

Corrosion is a significant problem and is, to a large extent, responsible for the degradation of metallic parts. In this direction, mesoporous silica particles (MSPs) were synthesized by a sol-gel technique and had an average pore diameter of ∼6.82 nm. The MSPs were loaded with polyethyleneimine (PEI) and epoxy monomers and, after that, carefully mixed into the epoxy matrix to formulate new modified polymeric coatings. The microstructural, compositional, structural, and thermal properties were investigated using various characterizing tools [Transmission electron microscopy, Fourier transform infrared spectroscopy, hermogravimetric analysis (TGA), and X-ray photoelectron spectroscopy]. TGA confirms the loading of mesoporous silica with a corrosion inhibitor, and its estimated loading amount is ∼8%. The electrochemical impedance spectroscopy properties of the reference and modified coated samples confirm the promising anti-corrosive performance of the synthesized polymeric smart coatings. Localized electrochemical tests (scanning vibrating electrode technique and scanning ion-selective electrode technique) evidence the corrosion inhibition ability of the coating, and its self-healing was also observed during 24 h of immersion. The decent anti-corrosion performance of the modified coatings can be credited to the efficient synergistic effect of the PEI and epoxy monomer.

Electrochemical Performance of Na3V2(PO4)2F3 Electrode Material in a Symmetric Cell.

A NASICON-based Na3V2(PO4)2F3 (NVPF) cathode material is reported herein as a potential symmetric cell electrode material. The symmetric cell was active from 0 to 3.5 V and showed a capacity of 85 mAh/g at 0.1 C. With cycling, the NVPF symmetric cell showed a very long and stable cycle life, having a capacity retention of 61% after 1000 cycles at 1 C. The diffusion coefficient calculated from cyclic voltammetry (CV) and the galvanostatic intermittent titration technique (GITT) was found to be ~10-9-10-11, suggesting a smooth diffusion of Na+ in the NVPF symmetric cell. The electrochemical impedance spectroscopy (EIS) carried out during cycling showed increases in bulk resistance, solid electrolyte interphase (SEI) resistance, and charge transfer resistance with the number of cycles, explaining the origin of capacity fade in the NVPF symmetric cell. Finally, the postmortem analysis of the symmetric cell after 1000 cycles at a 1 C rate indicated that the intercalation/de-intercalation of sodium into/from the host structure occurred without any major structural destabilization in both the cathode and anode. However, there was slight distortion in the cathode structure observed, which resulted in capacity loss of the symmetric cell. The promising electrochemical performance of NVPF in the symmetric cell makes it attractive for developing long-life and cost-effective batteries.

Multilevel Self-Healing Characteristics of Smart Polymeric Composite Coatings.

Smart polymeric composite coatings demonstrating multilevel self-healing characteristics were developed and characterized. The pH-responsive smart carriers were synthesized by loading halloysite nanotubes (HNTs) with the benzotriazole corrosion inhibitor (BTA) using the vacuum cycling method, referred to as (BTA-loaded HNTs). Similarly, mechanically triggered melamine urea-formaldehyde microcapsules encapsulated with the boiled linseed oil-self-healing agent (LO) denoted as (MUFMCs) having an average size of a ∼120 µm diameter with a wall thickness of ∼1.84 µm were synthesized by the in situ polymerization technique. The newly designed double-layered smart polymeric composite coatings (DLPCs) were developed by mixing 3 wt % BTA-loaded HNTs with epoxy and applying it on the clean steel substrate to form a primer layer. After its complete curing, a top layer of epoxy containing 5 wt % of MUFMCs was deposited on it. For an exact comparison, single-layer polymeric composite coatings (SLPCs) containing 3 wt % BTA-loaded HNTs were also developed. The Fourier transform infrared radiation spectra of MUFMCs and BTA-loaded HNTs indicate the existence of all desired functional groups, confirming the presence of loaded chemical species such as LO and BTA into the smart carriers. Thermogravimetric analysis (TGA) indicates that ∼18% BTA is successfully loaded into HNTs. Quantitative UV-spectroscopic analysis indicates a pH-responsive release of BTA from BTA-loaded HNTs, which is time-dependent, attaining its maximum value of ∼ 90% in an acidic medium after 30 h. Electrochemical impedance spectroscopy analysis conducted in 3.5 wt % NaCl solution at room temperature for different immersion times reveals that SLPC exhibits the maximum charge-transfer resistance (Rct) of 55.47 GΩ cm2 after the 7th day of immersion, and then, a declining trend is observed, reaching 26.6 GΩ cm2 after the 9th day. However, in the case of DLPC, the Rct values show a continuous increment, attaining a maximum value of 82.11 GΩ cm2 after the 9th day of immersion. The improved performance of DLPC can be ascribed to the efficient triggering of the individual carriers in the isolated matrices, resulting in the release of LO and BTA to form individual protective films at the damaged area due to the oxidative polymerization process and triazoles' ability of passive film formation on the substrate, respectively. The tempting self-healing properties of DLPCs justify their decent role for long-term corrosion protection in many industrial applications.

Effectiveness of Epoxy Coating Modified with Yttrium Oxide Loaded with Imidazole on the Corrosion Protection of Steel.

The search for highly effective corrosion protection solutions to avoid degradation of the metallic parts is enabling the development of polymeric organic coatings. Of particular relevance, polymeric nanocomposite coatings, modified with corrosion inhibitors, have been developed to provide enhanced surface protection. In this work, yttrium oxide nanoparticles loaded with corrosion inhibitor (Imidazole), used as additives in the formulation of epoxy for coated on the steel substrate. The loading of Y2O3 with imidazole was confirmed by field emission scanning electron microscopy (FE-SEM) and Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA) and Brunauer-Emmett-Teller analysis. UV-Vis analysis demonstrated the pH-sensitive behavior of the imidazole that helps in self-release when necessary. Electrochemical impedance spectroscopy (EIS) of the coated samples revealed that the coating modified with Y2O3/IMD provides better corrosion protection compared to coatings containing only Y2O3. XPS analysis validated the presence of an imidazole protective film on the steel substrate that enhanced the corrosion resistance of the coated samples.

Self-Healing Performance of Smart Polymeric Coatings Modified with Tung Oil and Linalyl Acetate.

This work focuses on the synthesis and characterization of polymeric smart self-healing coatings. A comparison of structural, thermal, and self-healing properties of two different polymeric coatings comprising distinct self-healing agents (tung oil and linalyl acetate) is studied to elucidate the role of self-healing agents in corrosion protection. Towards this direction, urea-formaldehyde microcapsules (UFMCs) loaded with tung oil (TMMCs) and linalyl acetate (LMMCs) were synthesized using the in-situ polymerization method. The synthesis of both LMMCs and TMMCs under identical experimental conditions (900 rpm, 55 °C) has resulted in a similar average particle size range (63-125 µm). The polymeric smart self-healing coatings were developed by reinforcing a polymeric matrix separately with a fixed amount of LMMCs (3 wt.% and 5 wt.%), and TMMCs (3 wt.% and 5 wt.%) referred to as LMCOATs and TMCOATs, respectively. The development of smart coatings (LMCOATs and TMCOATs) contributes to achieving decent thermal stability up to 450 °C. Electrochemical impedance spectroscopy (EIS) analysis indicates that the corrosion resistance of smart coatings increases with increasing concentration of the microcapsules (TMMCs, LMMCs) in the epoxy matrix reaching ~1 GΩ. As a comparison, LMCOATs containing 5 wt.% LMMCs demonstrate the best stability in the barrier properties than other developed coatings and can be considered for many potential applications.

Hybrid Halloysite Nanotubes as Smart Carriers for Corrosion Protection.

Novel hybrid halloysite nanotubes (HHNTs) were developed and used as smart carriers for corrosion protection of steel. For this purpose, as-received halloysite nanotubes (HNTs) were loaded with a corrosion inhibitor, imidazole (IM), by vacuum encapsulation. In the next step, a layer by layer technique was employed to intercalate another inhibitor, dodecylamine (DDA), in the polyelectrolyte multilayers of polyethylenimine and sulfonated polyether ether ketone, leading to the formation of HHNTs. During this process, IM (5 wt %) was successfully encapsulated into the lumen of HNTs, while DDA (0.4 wt %) was effectively intercalated into the polyelectrolyte layers. Later, the HHNTs (3 wt %) were thoroughly dispersed into the epoxy matrix to develop smart hybrid self-healing polymeric coatings designated as hybrid coatings. For a precise evaluation, epoxy coatings containing as-received HNTs (3 wt %) without any loading denoted to as reference coatings and modified coatings containing HNTs loaded with IM-loaded HNTs (3 wt %) were also developed. A comparative analysis elucidates that the hybrid coatings demonstrate decent thermal stability, improved mechanical properties, and promising anticorrosion properties compared to the reference and modified coatings. The calculated corrosion inhibition efficiencies of the modified and hybrid coatings are 92 and 99.8%, respectively, when compared to the reference coatings. Noticeably, the superior anticorrosion properties of hybrid coatings can be attributed to the synergetic effect of both the inhibitors loaded into HHNTs and their efficient release in response to the localized pH change of the corrosive medium. Moreover, IM shows an active release in both acidic and basic media, which makes it suitable for the protection of steel at the early stages of damage, while DDA being efficiently released in the acidic medium may contribute to impeding the corrosion activity at the later stages of deterioration. The tempting properties of hybrid coatings demonstrate the beneficial role of the development of novel HHNTs and their use as smart carriers in the polymeric matrix for corrosion protection of steel.

Cerium Dioxide Nanoparticles as Smart Carriers for Self-Healing Coatings.

The utilization of self-healing cerium dioxide nanoparticles (CeO2), modified with organic corrosion inhibitors (dodecylamine (DDA) and n-methylthiourea (NMTU)), in epoxy coating is an efficient strategy for enhancing the protection of the epoxy coating and increasing its lifetime. Fourier transform infrared (FTIR) spectroscopy analysis was used to confirm the loading and presence of inhibitors in the nanoparticles. Thermal gravimetric analysis (TGA) measurement studies revealed the amount of 25% and 29.75% w/w for NMTU and DDA in the nanoparticles, respectively. The pH sensitive and self-release behavior of modified CeO2 nanoparticles is confirmed through UV-vis spectroscopy and Zeta potential. It was observed, through scanning electron microscopy (SEM), that a protective layer had been formed on the defect site separating the steel surface from the external environment and healed the artificially created scratch. This protective film played a vital role in the corrosion inhibition of steel by preventing the aggressiveness of Cl- in the solution. Electrochemical impedance spectroscopy (EIS) measurements exhibited the exceptional corrosion inhibition efficiency, reaching 99.8% and 95.7% for the modified coating with DDA and NMTU, respectively, after five days of immersion time.

Electrochemical and thermodynamic study on the corrosion performance of API X120 steel in 3.5% NaCl solution.

The present work studied the effect of temperature on the corrosion behavior of API X120 steel in a saline solution saturated with CO2 in absence and presence of polyethyleneimine (PEI) as an environmentally safe green inhibitor. The effect of PEI on the corrosion behavior of API X120 steel was investigated using destructive and non-destructive electrochemical techniques. The overall results revealed that PEI significantly decreases the corrosion rate of API X120 steel with inhibition efficiency of 94% at a concentration of 100 µmol L-1. The adsorption isotherm, activation energy and the thermodynamic parameters were deduced from the electrochemical results. It is revealed that the adsorption of PEI on API X120 steel surface follows Langmuir adsorption isotherm adopting a Physi-chemisorption mechanism. Finally, the samples were characterized using scanning electron microscopy (SEM) and atomic force microscopy (AFM) techniques to elucidate the effect of aggressiveness of corrosive media on the surface morphology and the corrosion performance of API X120 steel. The surface topography result indicates that the API X120 steel interface in PEI presence is smoother than CO2 with Cl- ions or Cl- ions only. This is attributed to the compact protective film limits the aggressive ions transfer towards the metallic surface and reduces the corrosion rate. Moreover, PEI inhibition mechanism is based on its CO2 capturing ability and the PEI adsorption on the steel surface beside the siderite layer which give the PEI molecules the ability to reduce the scale formation and increase the corrosion protection due to capturing the CO2 from the brine solution.

Self-Healing Performance of Multifunctional Polymeric Smart Coatings.

Multifunctional nanocomposite coatings were synthesized by reinforcing a polymeric matrix with halloysite nanotubes (HNTs) loaded with corrosion inhibitor (NaNO3) and urea formaldehyde microcapsules (UFMCs) encapsulated with a self-healing agent (linseed oil (LO)). The developed polymeric nanocomposite coatings were applied on the polished mild steel substrate using the doctor's blade technique. The structural (FTIR, XPS) and thermogravimetric (TGA) analyses reveal the loading of HNTs with NaNO3 and encapsulation of UFMCs with linseed oil. It was observed that self-release of the inhibitor from HNTs in response to pH change was a time dependent process. Nanocomposite coatings demonstrate decent self-healing effects in response to the external controlled mechanical damage. Electrochemical impedance spectroscopic analysis (EIS) indicates promising anticorrosive performance of novel nanocomposite coatings. Observed corrosion resistance of the developed smart coatings may be attributed to the efficient release of inhibitor and self-healing agent in response to the external stimuli. Polymeric nanocomposite coatings modified with multifunctional species may offer suitable corrosion protection of steel in the oil and gas industry.

Development and Properties of Polymeric Nanocomposite Coatings.

Polymeric-based nanocomposite coatings were synthesized by reinforcing epoxy matrix with titanium nanotubes (TNTs) loaded with dodecylamine (DOC). The performance of the developed nanocomposite coatings was investigated in corrosive environments to evaluate their anti-corrosion properties. The SEM/TEM, TGA, and FTIR analysis confirm the loading of the DOC into the TNTs. The UV-Vis spectroscopic analysis confirms the self-release of the inhibitor (DOC) in response to the pH change. The electrochemical impedance spectroscopic (EIS) analysis indicates that the synthesized nanocomposite coatings demonstrate superior anticorrosion properties at pH 2 as compared to pH 5. The improved anticorrosion properties of nanocomposite coatings at pH 2 can be attributed to the more effective release of the DOC from the nanocontainers. The superior performance makes polymeric nanocomposite coatings suitable for many industrial applications.

Synthesis and Performance Evaluation of Pulse Electrodeposited Ni-AlN Nanocomposite Coatings.

This research work presents the microscopic analysis of pulse electrodeposited Ni-AlN nanocomposite coatings using SEM and AFM techniques and their performance evaluation (mechanical and electrochemical) by employing nanoindentation and electrochemical methods. The Ni-AlN nanocomposite coatings were developed by pulse electrodeposition. The nickel matrix was reinforced with various amounts of AlN nanoparticles (3, 6, and 9 g/L) to develop Ni-AlN nanocomposite coatings. The effect of reinforcement concentration on structure, surface morphology, and mechanical and anticorrosion properties was studied. SEM and AFM analyses indicate that Ni-AlN nanocomposite coatings have dense, homogenous, and well-defined pyramid structure containing uniformly distributed AlN particles. A decent improvement in the corrosion protection performance is also observed by the addition of AlN particles to the nickel matrix. Corrosion current was reduced from 2.15 to 1.29 µA cm-2 by increasing the AlN particles concentration from 3 to 9 g/L. It has been observed that the properties of Ni-AlN nanocomposite coating are sensitive to the concentration of AlN nanoparticles used as reinforcement.

Synthesis and performance evaluation of nanostructured NaFe x Cr1-X (SO4)2 cathode materials in sodium ion batteries (SIBs).

This research work focuses on the synthesis and performance evaluation of NaFe x Cr1-X (SO4)2 (X = 0, 0.8 and 1.0) cathode materials in sodium ion batteries (SIBs). The novel materials having a primary particle size of around 100-200 nm were synthesized through a sol-gel process by reacting stoichiometric amounts of the precursor materials. The structural analysis confirms the formation of crystalline, phase pure materials that adopt a monoclinic crystal structure. Thermal analysis indicates the superior thermal stability of NaFe0.8Cr0.2(SO4)2 when compared to NaFe(SO4)2 and NaCr(SO4)2. Galvanostatic charge/discharge analysis indicates that the intercalation/de-intercalation of a sodium ion (Na+) into/from NaFe(SO4)2 ensues at about 3.2 V due to the Fe2+/Fe3+ active redox couple. Moreover, ex situ XRD analysis confirms that the insertion/de-insertion of sodium into/from the host structure during charging/discharging is accompanied by a reversible single-phase reaction rather than a biphasic reaction. A similar sodium intercalation/de-intercalation mechanism has been noticed in NaFe0.8Cr0.2(SO4)2which has not been reported earlier. The galvanostatic measurements and X-ray photoelectron spectroscopy (XPS) analysis confirm that the Cr2+/Cr3+ redox couple is inactive in NaFe x Cr1-X (SO4)2 (X = 0, 0.8) and thus does not contribute to capacity augmentation. However, suitable carbon coating may lead to activation of the Cr2+/Cr3+ redox couple in these inactive materials.

A novel classification of prostate specific antigen (PSA) biosensors based on transducing elements.

During the last few decades, there has been a tremendous rise in the number of research studies dedicated towards the development of diagnostic tools based on bio-sensing technology for the early detection of various diseases like cardiovascular diseases (CVD), many types of cancer, diabetes mellitus (DM) and many infectious diseases. Many breakthroughs have been developed in the areas of improving specificity, selectivity and repeatability of the biosensor devices. Innovations in the interdisciplinary areas like biotechnology, genetics, organic electronics and nanotechnology also had a great positive impact on the growth of bio-sensing technology. As a product of these improvements, fast and consistent sensing policies have been productively created for precise and ultrasensitive biomarker-based disease diagnostics. Prostate-specific antigen (PSA) is widely considered as an important biomarker used for diagnosing prostate cancer. There have been many publications based on various biosensors used for PSA detection, but a limited review was available for the classification of these biosensors used for the detection of PSA. This review highlights the various biosensors used for PSA detection and proposes a novel classification for PSA biosensors based on the transducer type used. We also highlight the advantages, disadvantages and limitations of each technique used for PSA biosensing which will make this article a complete reference tool for the future researches in PSA biosensing.

A mixed iron-manganese based pyrophosphate cathode, Na2Fe0.5Mn0.5P2O7, for rechargeable sodium ion batteries.

The development of secondary batteries based on abundant and cheap elements is vital. Among various alternatives to conventional lithium-ion batteries, sodium-ion batteries (SIBs) are promising due to the abundant resources and low cost of sodium. While there are many challenges associated with the SIB system, cathode is an important factor in determining the electrochemical performance of this battery system. Accordingly, ongoing research in the field of SIBs is inclined towards the development of safe, cost effective cathode materials having improved performance. In particular, pyrophosphate cathodes have recently demonstrated decent electrochemical performance and thermal stability. Herein, we report the synthesis, electrochemical properties, and thermal behavior of a novel Na2Fe0.5Mn0.5P2O7 cathode for SIBs. The material was synthesized through a solid state process. The structural analysis reveals that the mixed substitution of manganese and iron has resulted in a triclinic crystal structure (P1[combining macron] space group). Galvanostatic charge/discharge measurements indicate that Na2Fe0.5Mn0.5P2O7 is electrochemically active with a reversible capacity of ∼80 mA h g(-1) at a C/20 rate with an average redox potential of 3.2 V. (vs. Na/Na(+)). It is noticed that 84% of initial capacity is preserved over 90 cycles showing promising cyclability. It is also noticed that the rate capability of Na2Fe0.5Mn0.5P2O7 is better than Na2MnP2O7. Ex situ and CV analyses indicate that Na2Fe0.5Mn0.5P2O7 undergoes a single phase reaction rather than a biphasic reaction due to different Na coordination environment and different Na site occupancy when compared to other pyrophosphate materials (Na2FeP2O7 and Na2MnP2O7). Thermogravimetric analysis (25-550 °C) confirms good thermal stability of Na2Fe0.5Mn0.5P2O7 with only 2% weight loss. Owing to promising electrochemical properties and decent thermal stability, Na2Fe0.5Mn0.5P2O7, can be an attractive cathode for SIBs.

Hierarchical porous carbon by ultrasonic spray pyrolysis yields stable cycling in lithium-sulfur battery.

Utilizing the unparalleled theoretical capacity of sulfur reaching 1675 mAh/g, lithium-sulfur (Li-S) batteries have been counted as promising enablers of future lithium ion battery (LIB) applications requiring high energy densities. Nevertheless, most sulfur electrodes suffer from insufficient cycle lives originating from dissolution of lithium polysulfides. As a fundamental solution to this chronic shortcoming, herein, we introduce a hierarchical porous carbon structure in which meso- and macropores are surrounded by outer micropores. Sulfur was infiltrated mainly into the inner meso- and macropores, while the outer micropores remained empty, thus serving as a "barricade" against outward dissolution of long-chain lithium polysulfides. On the basis of this systematic design, the sulfur electrode delivered 1412 mAh/g sulfur with excellent capacity retention of 77% after 500 cycles. Also, a control study suggests that even when sulfur is loaded into the outer micropores, the robust cycling performance is preserved by engaging small sulfur crystal structures (S2-4). Furthermore, the hierarchical porous carbon was produced in ultrahigh speed by scalable spray pyrolysis. Each porous carbon particle was synthesized through 5 s of carrier gas flow in a reaction tube.

Anomalous manganese activation of a pyrophosphate cathode in sodium ion batteries: a combined experimental and theoretical study.

Sodium ion batteries (SIBs) have many advantages such as the low price and abundance of sodium raw materials that are suitable for large-scale energy storage applications. Herein, we report an Mn-based pyrophosphate, Na(2)MnP(2)O(7), as a new SIB cathode material. Unlike most Mn-based cathode materials, which suffer severely from sluggish kinetics, Na(2)MnP(2)O(7) exhibits good electrochemical activity at ~3.8 V vs Na/Na(+) with a reversible capacity of 90 mAh g(-1) at room temperature. It also shows an excellent cycling and rate performance: 96% capacity retention after 30 cycles and 70% capacity retention at a c-rate increase from 0.05C to 1C. These electrochemical activities of the Mn-containing cathode material even at room temperature with relatively large particle sizes are remarkable considering an almost complete inactivity of the Li counterpart, Li(2)MnP(2)O(7). Using first-principles calculations, we find that the significantly enhanced kinetics of Na(2)MnP(2)O(7) is mainly due to the locally flexible accommodation of Jahn-Teller distortions aided by the corner-sharing crystal structure in triclinic Na(2)MnP(2)O(7). By contrast, in monoclinic Li(2)MnP(2)O(7), the edge-sharing geometry causes multiple bonds to be broken and formed during charging reaction with a large degree of atomic rearrangements. We expect that the similar computational strategy to analyze the atomic rearrangements can be used to predict the kinetics behavior when exploring new cathode candidates.