Enhancing thermodynamic stability of single-crystal Ni-rich cathode material via a synergistic dual-substitution strategy

Nickel(Ni)-rich cathode materials have become promising candidates for the next-generation electrical vehicles due to their high specific capacity.However,the poor thermodynamic stability(including cyclic performance and safety performance or thermal stability)will restrain their wide commercial application.Herein,a single-crystal Ni-rich Li Ni_(0.83)Co_(0.12)Mn_(0.05)O_(2) cathode material is synthesized and modified by a dual-substitution strategy in which the high-valence doping element improves the structural stability by forming strong metal–oxygen binding forces,while the low-valence doping element eliminates high Li^(+)/Ni^(2+)mixing.As a result,this synergistic dual substitution can effectively suppress H2-H3 phase transition and generation of microcracks,thereby ultimately improving the thermodynamic stability of Ni-rich cathode material.Notably,the dual-doped Ni-rich cathode delivers an extremely high capacity retention of 81%after 250 cycles(vs.Li/Li+)in coin-type half cells and 87%after 1000 cycles(vs.graphite/Li^(+))in pouch-type full cells at a high temperature of 55℃.More impressively,the dual-doped sample exhibits excellent thermal stability,which demonstrates a higher thermal runaway temperature and a lower calorific value.The synergetic effects of this dual-substitution strategy pave a new pathway for addressing the critical challenges of Ni-rich cathode at high temperatures,which will significantly advance the high-energy-density and high-safety cathodes to the subsequent commercialization.

Modeling the performance of perovskite solar cells with inserting porous insulating alumina nanoplates

Peng et al.[Science 379683(2023)]reported an effective method to improve the performance of perovskite solar cells by using thicker porous insulator contact(PIC)-alumina nanoplates.This method overcomes the trade-off between the open-circuit voltage and the fill factor through two mechanisms:reduced surface recombination velocity and increased bulk recombination lifetime due to better perovskite crystallinity.From arguments of drift-diffusion simulations,we find that an increase in mobility and carrier recombination lifetime in bulk are the key factors for minimizing the resistance-effect from thicker PICs and achieving a maximum power conversion efficiency(PCE)at approximately 25%reduced contact area.Furthermore,the partially replacement of perovskite films with thicker PICs would result in a reduction in short-current density,but the relative low refractive index of the PICs imbedded into the high refractive index perovskite creates light trapping structures that compensate for this loss.

Synthesis of crystalline g-C_(3)N_(4) with rock/molten salts for efficient photocatalysis and piezocatalysis

Graphitic carbon nitride(g-C_(3)N_(4))is emerging as a promising visible-light photocatalyst while the low crystallinity with sluggish charge separation/migration dynamics significantly restricts its practical applications.Currently,synthesizing highly crystalline g-C_(3)N_(4) with sufficient surface activities still remains challenging.Herein,different from using alkali molten salts which is commonly reported,we propose an approach for synthesis of highly crystalline g-C_(3)N_(4) with FeCl3/KCl rock/molten mixed salts.The rock salt can serve as the structure-directing template while molten salt provides the required liquid medium for re-condensation.Intriguingly,the synthesized photocatalyst showed further enhanced crystallinity and improved surface area along with high p/p*excitation compared with crystalline C_(3)N_(4) prepared from conventional molten-salt methods.These catalytically advantageous features lead to its superior photocatalytic and piezocatalytic activities with a high reactivity for overall water splitting that is not commonly reported for C_(3)N_(4).This work provides an effective strategy for structural optimization of organic semiconductor based materials and may inspire new ideas for the design of advanced photocatalysts.

Exploring the effect of cooling rate on non-isothermal crystallization of copolymer polypropylene by fast scanning calorimetry

Polypropylene is commonly used as a binder for ceramic injection molding,and rapid cooling is often encountered during processing.However,the crystallization behavior of polypropylene shows a strong dependence on cooling rate due to its semi-crystalline characteristics.Therefore,the influence of cooling rate on the quality of final product cannot be ignored.In this study,the fast differential scanning calorimetry(FSC)test was performed to study the influence of cooling rate on the non-isothermal crystallization behavior and non-isothermal crystallization kinetics of a copolymer polypropylene(PP BC03B).The results show that the crystallization temperatures and crystallinity decrease as the cooling rate increases.In addition,two exothermic peaks occur when cooling rate ranges from 30 to 300 K·s^(-1),indicating the formation of another crystal phase.Avrami,Ozawa and Mo equations were used to explore the non-isothermal crystallization kinetics,and it can be concluded that the Mo method is suitable for this study.

Effect of trace oxygen on plasma nitriding of titanium foil

Titanium nitride films are prepared by plasma enhanced chemical vapor deposition method on titanium foil using N_(2) as precursor. In order to evaluate the effect of oxygen on the growth of titanium nitride films, a small amount of O_(2) is introduced into the preparation process. The study indicates that trace O_(2) addition into the reaction chamber gives rise to significant changes on the color and micro-morphology of the foil, featuring dense and long nano-wires. The as-synthesized nanostructures are characterized by various methods and identified as TiN, Ti_(2) N, and TiO_(2) respectively. Moreover, the experiment results show that oxide nanowire has a high degree of crystallinity and the nitrides present specific orientation relationships with the titanium matrix.

Crystallinity-defect matching relationship of g-C_(3)N_(4): Experimental and theoretical perspectives

Good crystallinity can reduce the charge recombination centers caused by defects,whilst structures with strong polycondensation have high charge mobility,leading to more charge transfer to the material surface for reaction.Much effort has been put into the preparation of a highly efficient g-C_(3)N_(4) with defects to improve its application potential under the premise in high crystallinity.Hence,this review paper emphasizes the importance to balance the defect and crystallinity of g-C_(3)N_(4).In addition,detailed discussion on the relationship between defects and activity of g-C_(3)N_(4) was carried out based on its applications in environmental purification(e.g.,VOCs oxidation,NO_(x) oxidation,H_(2)O_(2) evolution,sterilization,pesticide oxidation)and energy conversion(H_(2) evolution,N_(2) fixation and CO_(2) reduction).Lastly,the challenge in developing more efficient defective g-C_(3)N_(4) photocatalytic materials is summarized.

Shock-induced energy localization and reaction growth considering chemical-inclusions effects for crystalline explosives

Chemical inclusions significantly alter shock responses of crystalline explosives in macroscale gap experiments but their microscale dynamics origin remains unclear.Herein shock-induced energy localization,overall physical responses,and reactions in a-1,3,5-trinitro-1,3,5-triazinane(a-RDX)crystal entrained various chemical inclusions were investigated by the multi-scale shock technique implemented in the reactive molecular dynamics method.Results indicated that energy localization and shock reaction were affected by the intrinsic factors within chemical inclusions,i.e.,phase states,chemical compositions,and concentrations.The atomic origin of chemical-inclusions effects on energy localization is dependent on the dynamics mechanism of interfacial molecules with free space volume,which includes homogeneous intermolecular compression,interfacial impact and shear,and void collapse and jet.As introducing various chemical inclusions,the initiation of those dynamics mechanisms triggers diverse decay rates of bulk RDX molecules and hereby impacts on growth speeds of final reactions.Adding chemical inclusions can reduce the effectiveness of the void during the shock impacting.Under the shockwave velocity of 9 km/s,the parent RDX decay rate in RDX entrained amorphous carbon decreases the most and is about one fourth of that in RDX with a vacuum void,and solid HMX and TATB inclusions are more reactive than amorphous carbon but less reactive than dry air or acetone inclusions.The lessdense shocking system denotes the greater increases in local temperature and stress,the faster energy liberation,and the earlier final reaction into equilibrium,revealing more pronounced responses to the present intense shockwave.The quantitative models associated with the relative system density(RD_(sys))were proposed for indicating energy-localization mechanisms and evaluating initiation safety in the shocked crystalline explosive.RD_(sys)is defined by the density ratio of defective RDX to perfect crystal after dynamics relaxation and reveals the global density characteristic in shocked systems filled with chemical inclusions.When RD_(sys)is below 0.9,local hydrodynamic jet initiated by void collapse dominates upon energy localization instead of interfacial impact.This study sheds light on novel insights for understanding the shock chemistry and physical-based atomic origin in crystalline explosives considering chemical-inclusions effects.

A three-dimensional co-continuous network structure polymer electrolyte with efficient ion transport channels enabling ultralong-life all solid-state lithium metal batteries

Solid polymer electrolytes(SPEs)have emerged as one of the most promising candidates for the construction of solid-state lithium batteries due to their excellent flexibility,scalability,and interface compatibility with electrodes.Herein,a novel all-solid polymer electrolyte(PPLCE)was fabricated by the copolymer network of liquid crystalline monomers and poly(ethylene glycol)dimethacrylate(PEGDMA)acts as a structural frame,combined with poly(ethylene glycol)diglycidyl ether short chain interspersed serving as mobile ion transport entities.The preparaed PPLCEs exhibit excellent mechanical property and out-standing electrochemical performances,which is attributed to their unique three-dimensional cocontinuous structure,characterized by a cross-linked semi-interpenetrating network and an ionic liquid phase,resulting in a distinctive nanostructure with short-range order and long-range disorder.Remarkably,the addition of PEGDMA is proved to be critical to the comprehensive performance of the PPLCEs,which effectively modulates the microscopic morphology of polymer networks and improves the mechanical properties as well as cycling stability of the solid electrolyte.When used in a lithiumion symmetrical battery configuration,the 6 wt%-PPLCE exhibites super stability,sustaining operation for over 2000 h at 30 C,with minimal and consistent overpotential of 50 mV.The resulting Li|PPLCE|LFP solid-state battery demonstrates high discharge specific capacities of 160.9 and 120.1 mA h g^(-1)at current densities of 0.2 and 1 C,respectively.Even after more than 300 cycles at a current density of 0.2 C,it retaines an impressive 73.5%capacity.Moreover,it displayes stable cycling for over 180 cycles at a high current density of 0.5C.The super cycle stability may promote the application for ultralong-life all solid-state lithium metal batteries.

Non-Kramers doublet ground state in a quaternary cubic compound PrRu_(2)In_(2)Zn_(18) investigated by ultrasonic measurements

We performed ultrasonic measurements on a quaternary cubic compound PrRu_(2)In_(2)Zn_(18) to explore the ground state properties derived from non-Kramers Γ_(3) doublet of Pr^(3+).PrRu_(2)In_(2)Zn_(18) is a quaternary derivative of the ternary compound PrRu_(2)Zn_(20) that exhibits a structural phase transition at T_S=138 K.In PrRu_(2)In_(2)Zn_(18),the Zn atoms at the 16c site in PrRu_(2)Zn_(20) are selectively replaced by In atoms.A monotonic increase was observed in the temperature dependence of elastic constants C_L=(C_(11)+2C_(12)+4C_(44))/3 and C_(T)=(C_(11)-C_(12)+C_(44))/3 in the temperature range around T_(S) to which an elastic softening was observed in(C_(11)-C_(12))/2 for PrRu_(2)Zn_(20).The disappearance of the softening indicates that the structural transition in PrRu_(2)Zn_(20) is suppressed by the substitution of Zn ions by In ones with a larger ionic radius.Alternatively,the C_(T) of PrRu_(2)In_(2)Zn_(18) exhibits a precursor Curie-type elastic softening toward low temperatures being responsible for the non-Kramers Γ_(3) ground state.We discuss the ground state and the evolution of the elastic properties of the different single-crystal samples of PrRu_(2)In_(2)Zn_(18) grown under different conditions.

Constructing long-cycling crystalline C_(3)N_(4)-based carbonaceous anodes for sodium-ion battery via N configuration control

Carbon nitrides with two-dimensional layered structures and high theoretical capacities are attractive as anode materials for sodium-ion batteries while their low crystallinity and insufficient structural stability strongly restrict their practical applications.Coupling carbon nitrides with conductive carbon may relieve these issues.However,little is known about the influence of nitrogen(N)configurations on the interactions between carbon and C_(3)N_(4),which is fundamentally critical for guiding the precise design of advanced C_(3)N_(4)-related electrodes.Herein,highly crystalline C_(3)N_(4)(poly(triazine imide),PTI)based all-carbon composites were developed by molten salt strategy.More importantly,the vital role of pyrrolic-N for enhancing charge transfer and boosting Na+storage of C_(3)N_(4)-based composites,which was confirmed by both theoretical and experimental evidence,was spot-highlighted for the first time.By elaborately controlling the salt composition,the composite with high pyrrolic-N and minimized graphitic-N content was obtained.Profiting from the formation of highly crystalline PTI and electrochemically favorable pyrrolic-N configurations,the composite delivered an unusual reverse growth and record-level cycling stability even after 5000 cycles along with high reversible capacity and outstanding full-cell capacity retention.This work broadens the energy storage applications of C_(3)N_(4) and provides new prospects for the design of advanced all-carbon electrodes.

Preparation and Performance Study of Cementitious Capillary Crystalline Waterproof Materials

Cementitious capillary crystalline waterproof materials(CCCW for short)offer durability and excellent waterproofing properties,making them a popular option for building waterproofing.Some scholars have studied the proportioning of such materials.However,these studies lack the relationship between the impermeability pressure of mortar and the components,and the mechanism of action is somewhat debatable.Therefore,we adopted a two-step method in our experiments.Firstly,we screened out the components that significantly impact impermeability from a variety of active components by orthogonal test.We then optimized the design of the active group ratio using the simplex lattice method.Lastly,we conducted a performance test of the optimal ratio and explored the waterproofing mechanism of homemade CCCW.

Srgap2 suppression ameliorates retinal ganglion cell degeneration in mice

Slit-Robo GTPase-activating protein 2(SRGAP2) plays important roles in axon guidance, neuronal migration, synapse formation, and nerve regeneration. However, the role of SRGAP2 in neuroretinal degenerative disease remains unclear. In this study, we found that SRGAP2 protein was first expressed in the retina of normal mice at the embryonic stage and was mainly located in the mature retinal ganglion cell layer and the inner nuclear layer. SRGAP2 protein in the retina and optic nerve increased after optic nerve crush. Then, we established a heterozygous knockout(Srgap2+/–) mouse model of optic nerve crush and found that Srgap2 suppression increased retinal ganglion cell survival, lowered intraocular pressure, inhibited glial cell activation, and partially restored retinal function. In vitro experiments showed that Srgap2 suppression activated the mammalian target of rapamycin signaling pathway. RNA sequencing results showed that the expression of small heat shock protein genes(Cryaa, Cryba4, and Crygs) related to optic nerve injury were upregulated in the retina of Srgap2+/– mice. These results suggest that Srgap2 suppression reduced the robust activation of glial cells, activated the mammalian target of rapamycin signaling pathway related to nerve protein, increased the expression of small heat shock protein genes, inhibited the degeneration of retinal ganglion cells, and partially restored optic nerve function.

Constructing Crystalline g-C_(3)N_(4)/g-C_(3)N_(4-x)S_(x)Isotype Heterostructure for Efficient Photocatalytic and Piezocatalytic Performances

Graphitic carbon nitride(g-C_(3)N_(4))is viewed as a promising visible-light photocatalyst for industrialization due to its low processing temperature and high chemical stability.However,serious charge recombination caused by incomplete polymerization during direct calcination of nitrogen-rich precursors significantly limits its photocatalytic performances.To boost charge separation,herein,we propose a rational strategy by constructing a crystalline g-C_(3)N_(4)/g-C_(3)N_(4-x)S_(x) isotype heterostructure through the molten salt method.Theoretical calculation reveals that apparent charge-transfer channels are formed between g-C_(3)N_(4) and S-doped g-C_(3)N_(4) layers in the heterostructure.Owing to high crystallinity for decreasing charge recombination and isotype heterostructure for efficient charge transfer,the as-prepared g-C_(3)N_(4)/g-C_(3)N_(4-x)S_(x) showed remarkable photocatalytic performances with the hydrogen production rate elevated by up to 12.3 times of its singular components.Another novelty of this work is we investigated for the first time the piezocatalytic activity of crystalline g-C_(3)N_(4) by characterizing its performance for H2O2 generation and KMnO4 reduction.Strikingly,its superior piezocatalytic performance over components can be further improved by NaBH4 treatment,which is uncovered to enhance the asymmetric structure of crystalline g-C_(3)N_(4) by introducing extra cyano groups and removing partial NHx species in its tri-s-triazine layer structure.This work opens up new strategies for the design of highly efficient polymeric photocatalysts and highlights the piezocatalytic studies of g-C_(3)N_(4).

The long-lived partial melting of the Greater Himalayas in southern Tibet, constraints from the Miocene Gyirong anatectic pegmatite and its prospecting potential for rare element minerals

The Cenozoic Himalayan leucogranite-pegmatite belt has been a hotspot for rare metal exploration in recent years.To determine the genesis of the pegmatite in the Himalayan region and its relationship with the Greater Himalayan Crystalline Complex(GHC),the Gyirong pegmatite in southern Tibet was chosen for geochronological and geochemical studies.The dating analyses indicate that the U-Th-Pb ages of zircon,monazite,and xenotime exhibit large variations(38.6‒16.1 Ma),with the weighted average value of the four youngest points is 16.5±0.3 Ma,which indicates that the final stage of crystallization of the melt occurred in the Miocene.The age of the muscovite Ar-Ar inverse isochron is 15.2±0.4 Ma,which is slightly later than the intrusion age,showing that a cooling process associated with rapid denudation occurred at 16‒15 Ma.TheεHf(t)values of the Cenozoic anatectic zircons cluster between−12 and−9 with an average of−11.4.The Gyirong pegmatite shows high contents of Si,Al,and K,a high Al saturation index,and low contents of Na,Ca,Fe,Mn,P,Mg,and Ti.Overall,the Gyirong pegmatite is enriched in Rb,Cs,U,K,Th and Pb and depleted in Nb,Ta,Zr,Ti,Eu,Sr,and Ba.The samples show a high 87Sr/86Sr(16 Ma)ratio of ca.0.762 and a lowεNd(16 Ma)value of−16.0.The calculated average initial values of 208Pb/204Pb(16 Ma),207Pb/204Pb(16 Ma)and 206Pb/204Pb(16 Ma)of the whole rock are 39.72,15.79 and 19.56,respectively.The Sr-Nd-Pb-Hf isotopic characteristics of the Gyirong pegmatite are consistent with those of the GHC.This study concludes that the Gyirong pegmatite represents a typical crustal‒derived anatectic pegmatite with low metallogenic potential for rare metals.The Gyirong pegmatite records the long‒term metamorphism and partial melting process of the GHC,and reflects the crustal thickening caused by thrust compression at 39‒29 Ma and the crustal thinning induced by extensional decompression during 28‒15 Ma.

Effects of coals microscale structural features on their mechanical properties,propensity to crushing and fine dust formation

The work is dedicated to revealing the structural features of coals with different ranks,such as anthracites,metaanthracite and graphite,that determine their ability to crush and form fine dust.For this purpose,a combination of various nanoin-dentation techniques and Raman spectroscopy was used.The mechanical behavior of the selected coals was investigated by cyclic nanoindentation with increasing peak load and quasi-static loading.The alteration of the mechanical properties was studied by analysis of elastic moduli and damage indices Rw.Three groups of coals were identified based on their propensity to crushing during cyclic nanoindentation.Coals assigned to the first and second groups are characterized by local destruction in the contact zone with the indenter and the formation of a core of crushed material.Coals assigned to the third group are characterized by bulk destruction(outside the zone of contact with the indenter).In general,the ability of coals to fracture under mechanical loading decreases in the series of metamorphism due to microscale compaction of vitrinite matter.In the series of anthracite,metaanthracite and graphite,it is established that the coal matter compaction takes place for the anthracite and metaanthracite,whereas graphite reveals rather different behavior due to abrupt change of its structure.The ratios between the amorphous and crystalline phases of carbon(S)were determined by deconvolution of coals Raman spectra.The propensity of coals to crushing(a damage index Rw)increases with growth of the proportion of amorphous carbon in the coal matter.For the considered coals and metaanthracite,it is established that the proneness to destruction outside the contact zone with the indenter is determined by the ratio of amorphous and crystalline carbon of 1 and higher.When S parameter is lower than 1,the coals are being crushed only in the zone of contact with the indenter.

Influence of substituting B_(2)O_(3) with Li_(2)O on the viscosity,structure and crystalline phase of low-reactivity mold flux

The low-reactivity mold flux with low SiO_(2)content is considered suitable for the continuous casting of high-aluminum steel since it can significantly reduce the reaction between Al in steel and SiO_(2)in mold flux.However,the traditional low-reactivity mold flux still presents some problems such as high viscosity and strong crystallization tendency.In this study,the co-addition of Li_(2)O and B_(2)O_(3)in CaO–Al_(2)O_(3)–10wt%Si O_(2)based low-reactivity mold flux was proposed to improve properties of mold flux for high-aluminum steel,and the effect of Li_(2)O replacing B_(2)O_(3)on properties of mold flux was investigated.The viscosity of the mold flux with 2wt%Li_(2)O and 6wt%B_(2)O_(3)reached a minimum value of 0.07 Pa·s.The break temperature and melting point showed a similar trend with the viscosity.Besides,the melt structure and precipitation of the crystalline phase were studied using Raman and X-ray diffraction spectra to better understand the evolution of viscosity.It demonstrated that with increasing Li_(2)O content in the mold flux from 0 to 6 wt%,the degree of polymerization of aluminate and the aluminosilicate network structure increased because of increasing Li+released by Li_(2)O,indicating the added Li_(2)O was preferentially associated with Al^(3+)as a charge compensator.The precipitation of LiAlO_(2)crystalline phase gradually increased with the replacement of B_(2)O_(3)by Li_(2)O.Therefore,Li_(2)O content should be controlled below 2wt%to avoid LiAlO_(2)precipitation,which was harmful to the continuous casting of highaluminum steels.

Surface structure modification of ReSe2 nanosheets via carbon ion irradiation

The effects of C ion irradiation on multilayer ReSe2flakes are studied by utilizing different kinds of technologies. The domain sizes, thickness, morphologies of the multilayer ReSe2flakes on the Al2O3substrates before and after 1.0-MeV C ion irradiation with different fluence rates are studied by atomic force microscope and scanning electron microscopy. The atomic vibrational spectra of multilayer ReSe2flakes are detected by micro-Raman spectra. The redshifts of the Raman modes after 1.0-MeV C ion irradiation are observed from the micro-Raman spectra. The elemental compositions and bonding configurations of the multilayer ReSe2samples before and after irradiation processes are characterized by x-ray photoelectron spectroscopy. The structural properties are also investigated by x-ray diffraction, and it is concluded that after 1.0-MeV C ion irradiation process, multilayer ReSe2samples continue to grow on Al2O3substrates, the increase of crystallite size also reveals that the crystallinity is improved with the increase of the layer number after 1.0-MeV C ion irradiation.

Transformation of Hexagonal Lu to Cubic LuH_(2+x)Single-Crystalline Films

With the recent report of near ambient superconductivity at room temperature in the N-doped lutetium hydride(Lu-H-N)system,the understanding of cubic Lu-H compounds has attracted worldwide attention.Generally,compared to polycrystals with non-negligible impurities,the single-crystalline form of materials with high purity can provide an opportunity to show their hidden properties.However,the experimental synthesis of single-crystalline cubic Lu-H compounds has not been reported so far.Here,we develop an easy way to synthesize highly pure LuH_(2+x)single-crystalline films by the post-annealing of Lu single-crystalline films(purity of 99.99%)in H_(2)atmosphere.The crystal and electronic structures of films were characterized by x-ray diffraction,Raman spectroscopy,and electrical transport.Interestingly,Lu films are silver-white and metallic,whereas their transformed LuH_(2+x)films become purple-red and insulating,indicating the possible formation of an unreported electronic state of Lu-H compounds.Our work provides a novel route to synthesize and explore more singlecrystalline Lu-H compounds.

Large-Area Monolayer n-Type Molecular Semiconductors with Improved Thermal Stability and Charge Injection

We fabricated monolayer n-type two-dimensional crystalline semiconducting films with millimeter-sized areas and remarkable morphological uniformity using an antisolvent-confined spin-coating method.The antisolvent can cause a downstream Marangoni flow,which improves the film morphologies.The deposited crystalline monolayer films exhibit excellent thermal stabilities after annealing,which reveals the annealing-induced enhancement of crystallinity.The transistors based on the n-type monolayer crystalline films show linear output characteristics and superior electron mobilities.The improved charge injection between monolayer films and Au electrodes results from the energy level shift as the films decrease to the monolayer,which leads to a lower injection barrier.This work demonstrates a promising method for fabricating air-stable,low-cost,high-performance,and large-area organic electronics.

Discrepancy in Grain Size Estimation of H_(2)O Ice in the Outer Solar System

Radiative transfer models(RTMs) have been used to estimate grain size of amorphous and crystalline water(H_(2)O)ice in the outer solar system from near-infrared(NIR) wavelengths. We use radiative scattering models to assess the discrepancy in grain size estimation of H_(2)O ice at a temperature of 15, 40, 60, and 80 K(amorphous) and 20,40, 60, and 80 K(crystalline)—relevant to the outer solar system. We compare the single scattering albedos of H_(2)O ice phases using the Mie theory and Hapke approximation models from the optical constant at NIR wavelengths(1–5 μm). This study reveals that Hapke approximation models—Hapke slab and internal scattering model(ISM)—predict grain size of crystalline phase slightly closer to Mie model than amorphous phase at temperatures of 15–80 K. However, the Hapke slab model predicts, in general, grain sizes much closer to those of the Mie model’s estimations while ISM predicted grain sizes exhibit a higher uncertainty. We recommend using the Mie model for unknown spectra of outer solar system bodies to estimate H_(2)O ice grain sizes. While choosing the approximation model for employing RTMs, we recommend using a Hapke slab approximation model over the ISM.