Efficient exploration of electronic and dielectric properties using advanced first-principles analysis grounded in modern theory of polarization: Application to PbTiO3 by Aimad Belboukhari, Souad Ait Saghir, Abderrahim Bakak, Said El-Jallal, Khaled Ait Bentaleb, My Abdelaziz Koumina, Daoud Mezzane, Yaovi Gagou

“…Our exploration will initially focus on a systematic study of the electronic, chemical bonding, ferroelectric and piezoelectric properties of the well-known prototypical bulk system PbTiO3. …”
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Research Advancements in the Mechanical Performance and Functional Properties of Nanocomposites Reinforced with Surface-Modified Carbon Nanotubes: A Review by Stefanos (Steve) Nitodas, Raj Shah, Mrinaleni Das

“…The strengthening mechanisms that CNTs impart in composites are reviewed, and synergistic effects with their surface groups or co-additives are analyzed, including wettability, mechanical interlocking, and chemical bonding. Different mechanical and functional properties of the CNT-reinforced nanocomposites are analyzed, such as tensile strength, flexural strength, impact resistance, thermal conductivity, and electrical conductivity. …”
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Synthesis and characterization of nylon-610 phase change materials with varied reduced graphene oxide filler ratios by Fadhl Al-Mahmodi Akram, Saii Patmashini, Munusamy Yamuna, Muniyadi Mathialagan, Siong Leong Sim

“…The FTIR results provided insights into the chemical bonding and interactions between PA610 and rGO, indicating successful integration of the fillers into the polymer matrix. …”
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Development of a new sustainable packaging paper based on cellulose filaments and refined kraft pulp by Lahbib Abenghal, Julien Bley, Balazs Tolnai, Guy Njamen, Bruno Chabot

“…The water vapor transmission rate (WVTR) of samples produced from refined kraft pulp alone was 177 g/m2. day, which significantly decreased to 77 g/m2. day by the addition of 80 % cellulose filaments owing to the formation of a complex network of physical and chemical bonds between the fibers. The water barrier also improved significantly as the Cobb60 value decreased from 87 to 57 g/m2 when 80 % cellulose filaments were used. …”
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Nucleophilic addition of bulk chemicals with imines using N-functionalized hydroxylamine reagents as precursors by Wei Wang, Yuanyuan Peng, Yang Liu, Yanchun Lin, Fei Zhao, Qinlin Chen, Liangming Xuan, Qiongjiao Yan, Fen-Er Chen, Hui Zhou

“…Among the key methods for constructing new chemical bonds are nucleophilic addition reactions involving imines. …”
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Raman Spectroscopy and Its Application in Fruit Quality Detection by Yong Huang, Haoran Wang, Huasheng Huang, Zhiping Tan, Chaojun Hou, Jiajun Zhuang, Yu Tang

“…In fruit quality detection, Raman spectroscopy is employed to detect organic compounds, such as pigments, phenols, and sugars, as well as to analyze the molecular structures of specific chemical bonds or functional groups, providing valuable insights into fruit disease detection, pesticide residue analysis, and origin identification. …”
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Bach Adsorption Study for the Extraction of Silver Ions by Hydrazone Compounds from Aqueous Solution by Abdussalam Salhin Mohamad Ali, Norfarhah Abdul Razak, Ismail Ab Rahman

“…Under the optimized conditions, the physically immobilized hydrazone sorbent (SG1) exhibits highest selectivity towards Ag+ ions, while the chemically bonded hydrazone sorbent (SG2) exhibits high extraction for all metal ions tested. …”
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Ceramic-Supported Alginate Adsorbent for the Removal of Heavy Metal Ions by Chrysoula P. Athanasekou, George E. Romanos, Andreas A. Sapalidis, Nick K. Kanellopoulos

“…Such chemical modification included grafting two different types of silanes onto the external surface and pores of γ-alumina, followed by chemical bonding of the alginate with the characteristic groups of the silane molecules involved. …”
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Photofunctional Co-Cr Alloy Generating Reactive Oxygen Species for Photodynamic Applications by Kang-Kyun Wang, Bong-Jin Kim, Mi Hee Lee, Byeong-Ju Kwon, Dong Hoon Choi, Jong-Chul Park, Yong-Rok Kim

“…The photosensitizer with carboxyl group was chemically bonded to the surface of the Co-Cr alloy plate by esterification reaction. …”
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Cell Imaging by Spontaneous and Amplified Raman Spectroscopies by Giulia Rusciano, Gianluigi Zito, Giuseppe Pesce, Antonio Sasso

“…Raman spectroscopy (RS) is a powerful, noninvasive optical technique able to detect vibrational modes of chemical bonds. The high chemical specificity due to its fingerprinting character and the minimal requests for sample preparation have rendered it nowadays very popular in the analysis of biosystems for diagnostic purposes. …”
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Layer-by-layer phase transformation in Ti3O5 revealed by machine-learning molecular dynamics simulations by Mingfeng Liu, Jiantao Wang, Junwei Hu, Peitao Liu, Haiyang Niu, Xuexi Yan, Jiangxu Li, Haile Yan, Bo Yang, Yan Sun, Chunlin Chen, Georg Kresse, Liang Zuo, Xing-Qiu Chen

“…Abstract Reconstructive phase transitions involving breaking and reconstruction of primary chemical bonds are ubiquitous and important for many technological applications. …”
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Green synthesis of CuO nanoparticles from Cucurbita maxima leaf extract; a platinum free counter electrode for dye sensitized solar cells by Emma Panzi Mukhokosi, Stephen Tenywa, Nandipha L. Bothab, Shohreh Azizi, Mathapelo Pearl Seopela, Malik Maaza

“…Uniformly synthesized CuO NPs were subjected to various characterization tools to obtain the crystal structure, surface morphology, particle size, optical properties, chemical bonds and photovoltaic properties. Using a natural dye from of Cucurbita maxima as a photon absorber, a short circuit current density ( Jsc) of 4.2 µA/cm2, open circuit voltage (Voc) of 0.17 V, a maximum power (Pmax) of 0.18 mW/cm2, and a power conversion efficiency (PCE) of 1.8 × 10?…”
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Cluster sliding ferroelectricity in trilayer Quasi-Hexagonal C60 by Xuefei Wang, Yanhan Ren, Shi Qiu, Fan Zhang, Xueao Li, Junfeng Gao, Weiwei Gao, Jijun Zhao

“…In elemental crystalline materials, chemical bonds between atoms of the same element favor symmetrically distributed electron charges and centrosymmetric structures, making elemental ferroelectrics rare. …”
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Multi‐Mechanism Collaborative Bionic Fixation Technique Between a Wide Range of Solid Interfaces by Shixun Fu, Jun Sun, Zhiyong Hu, Yongjin Zhao, Tianchang Yao, Xipeng Wang, Yuanming Ji, Kai Deng, Keju Ji

“…Based on the highly adhesive attachment structures of typical organisms, a multi‐mechanism (negative pressure adsorption, mechanical locking, and chemical bonding) cooperative bionic fixation device is proposed. …”
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Porosity and morphology control of mesoporous Cu-BTC Metal-Organic Framework microparticles by Kobra Vazirinezhad, Fatemeh Shariatmadar Tehrani, Sedigheh Zeinali

“…In this study, Cu-BTC structures, one of the most widely used metal-organic frameworks (MOF), were synthesized by solvothermal technique, and the effect of metal-to-ligand ratio and the solvent content on their crystalline structure, chemical bonding, morphology, and porosity properties was investigated systematically by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), Fourier transform infrared (FTIR) spectroscopy, and N2 adsorption-desorption measurements, respectively. …”
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Effect of Aggregate Roughness on Strength and Permeation Characteristics of Lightweight Aggregate Concrete by Ameer A. Hilal

“…Making the LWA rough helped in improving the compressive strength by about 13.5% owing to enhancing the ITZ between the LWA particles and the cement paste as well as improving the chemical bonding and mechanical interlocking forces between them. …”
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Enhanced characterization of wheat straw-PLA composites with silane coupling agent and alkali pretreatment by Zhonghua Yang, Kangjie Sun

“…Notably, the silane coupling agent treatment not only facilitated the formation of chemical bonds between the straw fibers and the PLA matrix but also filled the interfiber pores, significantly increasing the structural density. …”
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Assessment of Functionals for First-Principle Studies of the Structural and Electronic Properties of δ-Bi2O3 by D. H. Galván, R. Núñez-González, R. Rangel, P. Alemany, A. Posada-Amarillas

“…Density of states exhibits hybridization of Bi 6s and O 2p orbitals and the calculated charge density profiles exhibit the ionic character in the chemical bonding of this compound. The B3PW91 hybrid functional provided a better agreement with the experimental result for the lattice parameter, revealing the importance of Hartree-Fock exchange in this compound.…”
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Multiferroic and Optical Properties of La0.05Li0.85NbO3 and LiNbO3 Nanocrystals by Carlos A. Díaz-Moreno, Jorge A. López, Yu Ding, A. Hurtado Macias, Chunqiang Li, Ryan B. Wicker

“…The study of surfaces is the key of many important nanotechnological applications due to the understanding of phase transitions, electronic structure, and chemical bonding. In later years, exotic phenomena that jointly involve the magnetic and electrical conductivity properties have been discovered in oxides that contain magnetic ions. …”
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Effect of Gamma-Irradiated Recycled Low-Density Polyethylene on the High- and Low-Temperature Properties of Bitumen by Perviz Ahmedzade, Alexander Fainleib, Taylan Günay, Olga Starostenko, Tetyana Kovalinska

“…The surface of the LDPER was treated by gamma beam irradiation that provided formation of free radicals and some functional groups that may contribute to the creation of strong chemical bonds between polymer modifier and bitumen. Five different samples of bitumen/γ-LDPER compositions with the modifier content, wt. %: 1, 3, 5, 7 and 9, were prepared. …”
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