Article
Chemistry, Multidisciplinary
Qian Gao, Lifu Zhang, Caiyan Zheng, Shulai Lei, Shujuan Li, Zhenpeng Hu
Summary: In this study, a novel quasi-two-dimensional material structure, HSH-C-10, is proposed based on first-principles calculations. The mechanical properties and electronic structure of HSH-C-10 are investigated, revealing unique properties and potential applications.
CHINESE CHEMICAL LETTERS
(2022)
Article
Mechanics
Bingyao Li, Jingran Ge, Binbin Zhang, Qi Zhang, Chen Liu, Zengwen Wu, Zhenqiang Wu, Jun Liang
Summary: The mechanical behavior and failure mechanisms of 2D C/SiC screwed/bonded hybrid joints were investigated. Tensile experiments and analysis techniques were used to clarify the mechanical characteristics and monitor the failure process. The results showed the influence of SiC distribution on the response fluctuation and the variations in failure mode and strength of the hybrid joints with assembly angle.
COMPOSITE STRUCTURES
(2023)
Article
Chemistry, Multidisciplinary
Yi Liu, Sandra Benter, Chin Shen Ong, Renan P. Maciel, Linnea Bjork, Austin Irish, Olle Eriksson, Anders Mikkelsen, Rainer Timm
Summary: Researchers have successfully formed a 2D honeycomb structure of Bi on GaAs, which exhibits similar electronic properties as bismuthene and can be used for spintronics applications at room temperature.
Article
Nanoscience & Nanotechnology
Yabing Shan, Xiaofei Yue, Jiajun Chen, Borgea G. M. Ekoya, Jinkun Han, Laigui Hu, Ran Liu, Zhi-Jun Qiu, Chunxiao Cong
Summary: This study investigates the strain engineering of a bilayer WS2/WSe2 vertical heterostructure on the nanoscale using Raman and photoluminescence spectroscopy. The results show that the original coupling strength of the heterostructure significantly affects the electronic band structure evolution and interlayer exciton behavior.
ACS APPLIED NANO MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Xuanling Liu, Ziyi Wu, Han Zhong, Xuanyu Wang, Jianfei Yang, Ziling Zhang, Jianhua Han, Dan Oron, Hong Lin
Summary: In this study, cubic PbS nanosheets with (200) preferred crystal planes were synthesized and used to fabricate a nanoepitaxial PbS nanosheets-FAPbI(3) heterostructure with low defect density. The optimized perovskite solar cells showed improved efficiency and stability, retaining 90% of initial photovoltaic conversion efficiency after being stored for 2500 hours at 20 degrees C and 20% RH. The improved stability is attributed to the interfacial compression strain and chemical bonding between (200) planes of PbS nanosheets and alpha-FAPbI(3) (200).
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Analytical
Baohua Tian, Haiping Shang, Lihuan Zhao, Dahai Wang, Yang Liu, Weibing Wang
Summary: This paper successfully achieved a sealed cavity structure by bonding a bare silicon carbide wafer to a patterned SiC substrate using a room temperature direct bonding process, demonstrating good hermeticity and tensile strength, meeting military standard requirements, and suitable for the fabrication of absolute pressure sensors in high temperature environments.
Article
Chemistry, Multidisciplinary
Kanishka Sikligar, Steven P. Kelley, Gary A. Baker, Jerry L. Atwood
Summary: We present a study on a two-dimensional hexagonal honeycomb network made of barium-seamed metal-organic nanocapsules, which incorporates barium ions as spacers to create a solvent-accessible void. The individual void volume of this hierarchical self-assembly is approximately 13,000 angstrom(3). This work demonstrates the surprising chemistry that can be achieved by integrating large or classically non-reactive metal ions into supramolecular assemblies, networks, and organic nanocapsules.
CHEMICAL COMMUNICATIONS
(2023)
Article
Materials Science, Ceramics
Bo Wang, Gui Li, Jiayan Li, Long Wang, Xinpeng Zhuang, Wei Shi, Yi Tan
Summary: The introduction of root structure improves the oxidation resistance and bonding strength of chemical vapor deposition (CVD) SiC coating on C/SiC composites. The designed and prepared root structure, consisting of pores and SiC nanowires, enhances the bonding strength between the matrix and SiC coating, reduces coating cracking or spalling, and improves coating's oxidation resistance.
CERAMICS INTERNATIONAL
(2023)
Article
Materials Science, Multidisciplinary
Sayandip Ghosh, Guido Menichetti, Mikhail I. Katsnelson, Marco Polini
Summary: Two-dimensional honeycomb ferromagnets provide opportunities to study interactions that are not observed in standard bulk ferromagnets. They have an optical spin-wave branch and a plasmonic mode, and when these two branches meet, interactions between charge and spin sectors can occur.
Article
Materials Science, Ceramics
Xiao Han, Rong Pan, Jian Shi, Guoqiang Yu, Fangxiao Song, Xiguang Gao, Yingdong Song, Fang Wang
Summary: The stressed-oxidation behaviors of 2D woven SiCf/BN/SiC composites were studied at 950 degrees C and 1100 degrees C. The ultimate tensile strength (UTS) decreased by 20.75% at 950 degrees C and 30.71% at 1100 degrees C. The composites did not fail during stressed oxidation when subjected to constant stress corresponding to the initial linear and the beginning of nonlinear segments of the tensile curve, but failed after reaching a certain stress level. Fiber degradation and cracking caused by oxidation of BN interface coating and SiC fiber were responsible for strength degradation and failure of the composites.
CERAMICS INTERNATIONAL
(2021)
Article
Engineering, Chemical
Wenjuan Fan, Hui Chang, Wenju Pang, Yufeng Li, Chuanhai Xiao, Yan Jiang, Zhiqiang Jiang, Guangfu Yin
Summary: Designing photocatalysts with excellent morphology from MOF is a promising strategy to improve photocatalytic H2 evolution. In this study, a 3D honeycomb-like Zn0.5Cd0.5S-140 assembled by ultra-thin nanosheets was constructed using a novel MOF template. The Zn0.5Cd0.5S-140 photocatalyst exhibited the highest hydrogen evolution rate and apparent quantum efficiency among the ZnxCd1-xS-140 photocatalysts derived from MOF.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Physical
Joseph Fox, George Newham, Richard J. Bushby, Elizabeth M. A. Valleley, Patricia Louise Coletta, Stephen D. Evans
Summary: Free-standing, 2D gold nanosheets offer broad potential applications, but better control of material growth is needed. We recently reported a synthesis method for AuNS that are only 0.47 nm thick and exhibited high catalytic activity. In this study, we used spectrophotometric analysis and TEM imaging to investigate AuNS formation and optimize the procedure.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Materials Science, Multidisciplinary
J. Carlsson, K. Li, V. S. Deshpande, N. A. Fleck
Summary: Finite strain numerical solutions were used to study the elastic-plastic behavior of a hexagonal honeycomb under uniaxial compression and tension. The study found that the inclination angle of the cell walls and the characteristics of the core material significantly affect the response of the honeycomb.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
(2022)
Article
Chemistry, Multidisciplinary
Raagya Arora, Umesh Waghmare, C. N. R. Rao
Summary: This study investigates various 2D lattices of Group IV chalcogenides to understand the nature of metavalent bonding (MVB). It is found that honeycomb lattices adhere to the 8-N rule and exhibit covalent bonding, while square and orthorhombic structures display in-plane MVB driven by p-p orbital interactions, with cationic lone pairs inducing out-of-plane puckering.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Materials Science, Multidisciplinary
Xuehan Ma, Lufeng Zhao, Yi Zhang, Xuqin Li, Laifei Cheng
Summary: In this study, the uncertainty law and formation mechanism of the tensile properties of 2D SiC/SiC composites were investigated through microstructural analysis. Three distribution function models, namely Weibull, normal, and log-normal, were established for the tensile properties of 2D SiC/SiC composites. The accuracy of the models was evaluated using the area index of model validation, and B-basis values for the tensile strength were calculated.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Chemistry, Inorganic & Nuclear
Lotfi Ibrahim Karaouzene, Tarik Ouahrani, Angel Morales-Garcia, Daniel Errandonea
Summary: In this study, the effect of nitrogen substitution in wolframite-type ScTaO4 was investigated using density-functional theory calculations. The results show that the electronic properties and crystal structure of ScTaO4 can be tuned by partially substituting oxygen atoms with nitrogen atoms.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Miguel Recio-Poo, Angel Morales-Garcia, Francesc Illas, Stefan T. T. Bromley
Summary: In this study, the interrelation between crystallinity, surface hydroxylation, and electronic structure in titania nanoparticles (NPs) was investigated using density functional theory-based calculations. The results showed that the local coordination environments of the atoms in annealed non-crystalline NPs became similar to those in faceted crystalline anatase NPs with increasing hydroxylation. Highly hydroxylated annealed NPs also exhibited similar electronic energy gaps and band edge orbital characters to crystalline anatase NPs. These findings suggest that the anatase crystal structure may not be essential for TiO2 NP applications, and crystal-like NPs could exist in other nanomaterials.
Article
Chemistry, Physical
Nestor Garcia-Romeral, Angel Morales-Garcia, Francesc Vines, Iberio de P. R. Moreira, Francesc Illas
Summary: The electronic ground state of Ti2C MXene was determined using density functional theory calculations, showing a magnetic ground state with antiferromagnetically coupled ferromagnetic layers. A spin model consistent with the nature of the chemical bond was presented, and the relevant magnetic coupling constants were extracted from energy differences using a mapping approach. The estimated Neel temperature is approximately 220 +/- 30 K, suggesting potential applications in spintronics and related fields.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Angel Morales-Garcia, Francesc Vines, Carmen Sousa, Francesc Illas
Summary: This Perspective provides a road map for computational heterogeneous photocatalysis, emphasizing the knowledge required to enhance the design of efficient photocatalysts. A plausible computational framework is suggested, focusing on the static and dynamic properties of relevant excited states and the involved chemistry in the reactions of interest. The road map involves explicitly exploring the nature of charge carriers, the excited-state potential energy surface, and its time evolution. Excited-state descriptors are introduced to locate and characterize the electrons and holes generated upon excitation. Nonadiabatic molecular dynamics simulations are proposed as a convenient tool to describe the time evolution of the photogenerated species and their propagation through the crystalline structure of the photoactive material, ultimately providing information about the charge carrier lifetime. Finally, it is claimed that a detailed understanding of the mechanisms of heterogeneously photocatalyzed reactions requires the analysis of the excited-state potential energy surface.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Tarik Ouahrani, Reda M. Boufatah, Mohammed Benaissa, Angel Morales-Garcia, Michael Badawi, Daniel Errandonea
Summary: The challenges brought by climate change call for the improvement and discovery of materials for green technology development. This study investigates the role of anionic and cationic vacancy defects and the nature of active sites in the catalytic activation of Cu2WS4 single layers. By using density functional theory calculations, the stability of pristine and defective structures of Cu2WS4 has been thoroughly studied. The formation enthalpy analysis indicates that Cu vacancy is the most favorable chemically, while the adsorption energy shows that the presence of such vacancies slightly enhances the hydrogen evolution reaction. On the other hand, the formation of an S vacancy considerably magnifies the same reaction in Cu2WS4 single layers.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Chemistry, Physical
Elena Remesal, Angel Morales-Garcia, Francesc Illas
Summary: Through density functional theory-based calculations, we found that interstitial N doping promotes the formation of oxygen vacancies and leads to a more significant reduction in the energy gap compared to N substitution of oxygen atoms.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Nestor Garcia-Romeral, Angel Morales-Garcia, Francesc Vines, Iberio de P. R. Moreira, Francesc Illas
Summary: The magnetic properties of Ti2C, Ti3C2, and Ti4C3 MXenes were studied using density functional theory. It was found that all MXenes exhibit magnetic behavior with antiferromagnetic coupling between the outer Ti layers. A spin model was proposed based on the analysis of the chemical bond, with diamagnetic Ti2+ ions in the inner layers and paramagnetic Ti+ centers on the surface. The magnetic coupling constants were found to depend on the functional used, with the nearest neighbor intralayer coupling always being ferromagnetic.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Inorganic & Nuclear
L. Bendaoudi, T. Ouahrani, A. Daouli, B. Rerbal, R. M. Boufatah, A. Morales-Garcia, R. Franco, Z. Bedrane, M. Badawi, D. Errandonea
Summary: First-principles calculations based on density-functional theory were employed to investigate the impacts of biaxial strain and oxygen vacancy on the electronic, photocatalytic, and electrocatalytic properties of PbTiO3 oxide. The study reveals that PbTiO3 possesses a high exciton binding energy and an adjustable band gap through different strain regimes. However, the highly exothermic hydrogen adsorption in both pristine and strained PbTiO3 structures does not make it a promising electrocatalyst for the hydrogen evolution reaction. Fortunately, the presence of oxygen vacancies on the PbTiO3 surface induces moderate adsorption energies, making reduced PbTiO3 suitable for hydrogen evolution reaction processes.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Physical
Tarik Ouahrani, Reda M. Boufatah, Loubna Bendaoudi, Zeyneb Bedrane, Angel Morales-Garcia, Daniel Errandonea
Summary: Novel low-dimensional PbTiO3 material was found to be dynamically and thermodynamically stable, and a single oxygen defect vacancy was identified to play a key role in enhancing the hydrogen evolution reaction (HER).
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Elena R. Remesal, Angel Morales-Garcia
Summary: The study analyzed the carbon doping of titania nanoparticles using all-electron density functional theory-based calculations. The results suggest that low oxygen partial pressure favors the formation of carbon-doped nanoparticles at different sites, indicating the need for more realistic models to study nanostructures involved in photocatalytic processes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Inorganic & Nuclear
Tarik Ouahrani, Ayoub Daouli, Michael Badawi, Loubna Bendaoudi, Angel Morales-Garcia, Daniel Errandonea
Summary: In this study, the properties of the two-dimensional perovskite-based MgPSe3 were explored using first-principles calculations. The material was found to be stable and showed promising electronic properties for optoelectronic applications.
DALTON TRANSACTIONS
(2022)
Review
Chemistry, Multidisciplinary
Bipasa Samanta, Angel Morales-Garcia, Francesc Illas, Nicolae Goga, Juan Antonio Anta, Sofia Calero, Anja Bieberle-Hutter, Florian Libisch, Ana B. Munoz-Garcia, Michele Pavone, Maytal Caspary Toroker
Summary: Understanding the water splitting mechanism in photocatalysis is crucial for producing clean fuel in the future. Different theoretical methods at various scales have strengths and drawbacks, and a combination of methods is needed to model complex nano-photocatalysts accurately.
CHEMICAL SOCIETY REVIEWS
(2022)
Article
Chemistry, Physical
Masoomeh Keyhanian, Davood Farmanzadeh, Angel Morales-Garcia, Francesc Illas
Summary: A density functional theory-based study investigated the stability of single-atom catalysts on a series of O-terminated MXenes. The study found that Sc@M2CO2 and Ti@M2CO2 are the most feasible SACs due to their high metal-support interaction and low tendency to form metal clusters.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Physical
Chewki Ougherb, Tarik Ouahrani, Michael Badawi, Angel Morales-Garcia
Summary: A computational study investigates the effect of surface termination on Janus Hf2COS MXene by substituting part of the O-terminated layer with S atoms. The results show that this chemical strategy allows for tailoring the band gap of MXenes and modifying their semiconducting character. The study also confirms the thermodynamic stability and metallic character of the Janus Hf2COS MXene.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Jose D. Gouveia, Angel Morales-Garcia, Francesc Vines, Jose R. B. Gomes, Francesc Illas
Summary: High-throughput analysis based on density functional simulations highlights the feasible epitaxial growth of MXenes by alternating nitrogen and metal adlayers. Exhaustive analysis of thermodynamic and kinetic thresholds at different critical steps reveals the potential to expand, control, and tune the composition, width, and structure of the MXene family.
Correction
Materials Science, Multidisciplinary
A. D. Boccardo, M. Tong, S. B. Leen, D. Tourret, J. Segurado
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Tao Li, Qing Hou, Jie-chao Cui, Jia-hui Yang, Ben Xu, Min Li, Jun Wang, Bao-qin Fu
Summary: This study investigates the thermal and defect properties of AlN using molecular dynamics simulation, and proposes a new method for selecting interatomic potentials, developing a new model. The developed model demonstrates high computational accuracy, providing an important tool for modeling thermal transport and defect evolution in AlN-based devices.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Shin-Pon Ju, Chao-Chuan Huang, Hsing-Yin Chen
Summary: Amorphous boron nitride (a-BN) is a promising ultralow-dielectric-constant material for interconnect isolation in integrated circuits. This study establishes a deep learning potential (DLP) for different forms of boron nitride and uses molecular dynamics simulations to investigate the mechanical behaviors of a-BN. The results reveal the structure-property relationships of a-BN, providing useful insights for integrating it in device applications.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
M. Salman, S. Schmauder
Summary: Shape memory polymer foams (SMPFs) are lightweight cellular materials that can recover their undeformed shape through external stimulation. Reinforcing the material with nano-clay filler improves its physical properties. Multiscale modeling techniques can be used to study the thermomechanical response of SMPFs and show good agreement with experimental results.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Laura Gueci, Francesco Ferrante, Marco Bertini, Chiara Nania, Dario Duca
Summary: This study investigates the acidity of 30 Bronsted sites in the beta-zeolite framework and compares three computational methods. The results show a wide range of deprotonation energy values, and the proposed best method provides accurate calculations.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
K. A. Lopes Lima, L. A. Ribeiro Junior
Summary: Advancements in nanomaterial synthesis and characterization have led to the discovery of new carbon allotropes, including biphenylene network (BPN). The study finds that BPN lattices with a single-atom vacancy exhibit higher CO2 adsorption energies than pristine BPN. Unlike other 2D carbon allotropes, BPN does not exhibit precise CO2 sensing and selectivity by altering its band structure configuration.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Jay Kumar Sharma, Arpita Dhamija, Anand Pal, Jagdish Kumar
Summary: In this study, the quaternary Heusler alloys LiAEFeSb were investigated for their crystal structure, electronic properties, and magnetic behavior. Density functional theory calculations revealed that LiSrFeSb and LiBaFeSb exhibit half-metallic band structure and 100% spin polarization, making them excellent choices for spintronic applications.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Roman A. Eremin, Innokentiy S. Humonen, Alexey A. Kazakov, Vladimir D. Lazarev, Anatoly P. Pushkarev, Semen A. Budennyy
Summary: Computational modeling of disordered crystal structures is essential for studying composition-structure-property relations. In this work, the effects of Cd and Zn substitutions on the structural stability of CsPbI3 were investigated using DFT calculations and GNN models. The study achieved accurate energy predictions for structures with high substitution contents, and the impact of data subsampling on prediction quality was comprehensively studied. Transfer learning routines were also tested, providing new perspectives for data-driven research of disordered materials.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Zhixin Sun, Hang Dong, Yaohui Yin, Ai Wang, Zhen Fan, Guangyong Jin, Chao Xin
Summary: In this study, the crystal structure, electronic structure, and optical properties of KH2PO4: KDP crystals under different pressures were investigated using the generalized gradient approximate. It was found that high pressure caused a phase transition in KDP and greatly increased the band gap. The results suggest that high pressure enhances the compactness of KDP and improves the laser damage threshold.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Tingting Yu
Summary: This study presents atomistic simulations revealing that an increase in driving force may result in slower grain boundary movement and switches in the mode of grain boundary shear coupling migration. Shear coupling behavior is found to effectively alleviate stress and holds potential for stress relaxation and microstructure manipulation in materials.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Y. Zhang, X. Q. Deng, Q. Jing, Z. S. Zhang
Summary: The electronic properties of C2N/antimonene van der Waals heterostructure are investigated using density functional theory. The results show that by applying horizontal strain, vertical strain, electric field, and interlayer twist, the electronic structure can be adjusted. Additionally, the band alignment and energy states of the heterostructure can be significantly changed by applying vertical strain on the twisted structure. These findings are important for controlling the electronic properties of heterostructures.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Chad E. Junkermeier, Evan Larmand, Jean-Charles Morais, Jedediah Kobebel, Kat Lavarez, R. Martin Adra, Jirui Yang, Valeria Aparicio Diaz, Ricardo Paupitz, George Psofogiannakis
Summary: This study investigates the adsorption properties of carbon dioxide (CO2), methane (CH4), and dihydrogen (H2) in carbophenes functionalized with different groups. The results show that carbophenes can be promising adsorbents for these gases, with high adsorption energies and low desorption temperatures. The design and combination of functional groups can further enhance their adsorption performance.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Y. Borges, L. Huber, H. Zapolsky, R. Patte, G. Demange
Summary: Grain boundary structure is closely related to solute atom segregation, and machine learning can predict the segregation energy density. The study provides a fresh perspective on the relationship between grain boundary structure and segregation properties.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
M. R. Jones, L. T. W. Fey, I. J. Beyerlein
Summary: In this work, a three-dimensional ab-initio informed phase-field-dislocation dynamics model combined with Langevin dynamics is used to investigate glide mechanisms of edge and screw dislocations in Nb at finite temperatures. It is found that the screw dislocation changes its mode of glide at two distinct temperatures, which coincides with the thermal insensitivity and athermal behavior of Nb yield strengths.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Joshua A. Vita, Dallas R. Trinkle
Summary: This study introduces a new machine learning model framework that combines the simplicity of spline-based potentials with the flexibility of neural network architectures. The simplified version of the neural network potential can efficiently describe complex datasets and explore the boundary between classical and machine learning models. Using spline filters for encoding atomic environments results in interpretable embedding layers that can incorporate expected physical behaviors and improve interpretability through neural network modifications.
COMPUTATIONAL MATERIALS SCIENCE
(2024)