Article
Chemistry, Physical
Yogesh Kumar, S. Tripathi, Mangla Nand, R. Jangir, V. Srihari, A. Das, R. Singh, U. Deshpande, S. N. Jha, A. Arya
Summary: This study investigated the effect of Nd doping on the structural, optical, and electronic properties of lanthanum monazite structure. Pure and Nd-doped LaPO4 powders were prepared and analyzed for their composition, oxidation states, crystal structure, and bandgaps. The results confirmed the successful substitution of Nd in the LaPO4 matrix and provided insights into the local structure using extended X-ray absorption fine structure analysis.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
Alfredo Romero-Contreras, Juan S. Lezama Pacheco, Joaquin Alvarado, Umapada Pal, Julio Villanueva-Cab
Summary: The study reveals that a more relaxed lattice and less static disorder are the characteristics of optimized aqueous DSSCs. The decrease in intragap states leads to a downward shift of the quasi-Fermi level, amplifying the short-circuit photocurrent.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Rose J. Miller, Vanessa M. Smith, Stacy A. Love, Sarah M. Byron, David Salas-de la Cruz, Kevin M. Miller
Summary: By functionalizing cellulose with 1,2,3-triazolium groups, derivatives were obtained with observed T-g values inversely related to the size of the counteranions, indicating dependence on anion basicity and hydration for thermal and ionic conductivity properties.
ACS APPLIED POLYMER MATERIALS
(2021)
Article
Chemistry, Physical
Samira F. Kurtoglu-Oztulum, Kaan Yalcin, Adam S. Hoffman, Ahsan Jalal, Yuxin Zhao, Bruce C. Gates, Simon R. Bare, Ugur Unal, Alper Uzun
Summary: In this study, an atomically dispersed reduced graphene aerogel-supported iridium catalyst coated with an ionic liquid was synthesized and its stability and activity were investigated. The results showed that the iridium remained in a single dispersed state and maintained intact active sites even at high temperatures. This suggests that the choice of electron-donor supports and ionic liquid sheaths could overcome stability limitations of atomically dispersed noble metal catalysts.
Article
Chemistry, Physical
Tangi Bare, Maxime Besserve, Tomaz Urbic, Aurelien Perera
Summary: A site-site interaction model is proposed as an alternative to the traditional Mercedes-Benz model for water in two dimensions. The new model exhibits a dual peak in the structure factor near zero wavevector, different from the single peak observed in real water. It also reproduces the known anomalies of water, such as the density maximum. Additionally, the new model demonstrates greater homogeneity than the traditional models due to the screened Coulomb interaction between sites.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Multidisciplinary Sciences
J. Niskanen, A. Vladyka, J. Niemi, C. J. Sahle
Summary: In this study, we explore the sensitivity of several core-level spectroscopic methods to the atomistic structure using water molecule as a test system. We define a metric to measure the magnitude of spectral change as a function of structure, which enables us to identify structural regions with high spectral sensitivity. By employing machine-learning emulator-based decomposition of structural parameter space, we are able to recover more spectral variance and identify spectroscopically dominant degrees of freedom.
ROYAL SOCIETY OPEN SCIENCE
(2022)
Article
Chemistry, Physical
Mauricio Lopez Luna, Janis Timoshenko, David Kordus, Clara Rettenmaier, See Wee Chee, Adam S. Hoffman, Simon R. Bare, Shamil Shaikhutdinov, Beatriz Roldan Cuenya
Summary: The study investigates the structural and chemical evolution of oxide-supported iron nanoparticles during the activation stages and the CO2 hydrogenation reaction, revealing the preferential formation of iron surface oxides under reaction conditions. The results highlight the important role played by the oxide support in the final structure and composition of nanosized catalysts.
Article
Chemistry, Physical
Fumiya Nemoto, Shun-ya Nakamura, Hiroshi Abe
Summary: The research showed that the surface tension of mixtures steeply decreased upon mixing iodides, polyiodides localized around the liquid-vapor interface independently of the alkyl chain number, and longer alkyl chains effectively hindered the surface.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Lucia Amidani, Gavin B. M. Vaughan, Tatiana V. Plakhova, Anna Yu. Romanchuk, Evgeny Gerber, Roman Svetogorov, Stephan Weiss, Yves Joly, Stepan N. Kalmykov, Kristina O. Kvashnina
Summary: Through the combination of HEXS and HERFD XANES analysis, the short- and medium-range order of chemically precipitated ThO2 NPs has been characterized for the first time, providing new insights into the structures of NPs at different stages of formation. The pair distribution function revealed a high concentration of ThO2 small units mixed with ThO2 NPs in the initial steps of formation, and drying promoted the recrystallization of the smallest units into more thermodynamically stable ThO2 NPs.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Physical
Masafumi Harada, Fukue Kotegawa, Masako Kuwa
Summary: A comparison of cobalt-based oxides with spinel structure was conducted to investigate their electrochemical and physicochemical behavior on the oxygen evolution reaction (OER) in an alkaline solution. The results show that the active sites are controlled by the cation distribution and bond strength at the catalyst surface. This study provides important insights into the effects of cation distributions on catalytic activity and presents a method for determining the fundamental mechanism of cobalt oxides for OER.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Physical
Elham Alterhoni, Aydin Tavman, Mayram Hacioglu, Onur Sahin, A. Seher Birteksoz Tan
Summary: New Schiff bases and benzimidazolylphenol derivatives were synthesized and characterized in this study, as well as their metal complexes. Some metal complexes exhibited higher antimicrobial activity compared to the ligands, with Co(II) complexes showing a wide range of antimicrobial activity.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Materials Science, Ceramics
Sachin Kumar Godara, Mandeep Singh, Varinder Kaur, S. B. Narang, Ashwani Kumar Sood
Summary: In this study, Ba1-xCaxFe12O19 samples were synthesized using sol-gel auto-combustion method, with the maximum calcium solubility observed at 1200 degrees C. The XRD data showed a decrease in lattice parameters and cell volume with increasing 'x', while FESEM images revealed an increase in particle size. Magnetic measurements indicated that the highest saturation magnetization was found in the x = 0.50 sample, with a decrease in coercivity as 'x' increased.
CERAMICS INTERNATIONAL
(2021)
Article
Chemistry, Physical
Atipong Bootchanont, Chakkaphan Wattanawikkam, Porramain Porjai, Wutthigrai Sailuam, Wutthikrai Busayaporn, Chatree Saiyasombat, Pinit Kidkhunthod, Jongrak Borsup, Prayoon Songsiriritthigul, Arreerat Jiamprasertboon, Tossaporn Lertvanithphol, Mati Horprathum, Patsaraporn Pengsri, Thanit Saisopa
Summary: This study investigates the correlation between the structural orientation and chromatic characteristics in rubies using XRD, XAS, and DFT calculations. The results provide important insights into the locally determined structures and their effects on energy levels.
RADIATION PHYSICS AND CHEMISTRY
(2022)
Article
Chemistry, Physical
Bing-Bing Zhang, Jing Ming, Hao-Qing Li, Xiu-Neng Song, Chuan-Kui Wang, Weijie Hua, Yong Ma
Summary: Heterogeneous atomic doping, especially with nitrogens, can enhance the interfacial properties and electrical conductivity of carbon-based materials like y-graphyne (y-GY), leading to improved energy storage capacity and expanded electrical applications. The local structures around the impurity atoms have a significant impact on the properties of doped structures, which can be sensitively determined by X-ray photoelectron (XPS) and near-edge X-ray absorption fine-structure (NEXAFS) spectra. In this study, the XPS and NEXAFS spectra of both pristine y-GY and five nitrogen-doped y-GYs at the C and N K-edges were successfully simulated using density functional theory.
Article
Physics, Multidisciplinary
T. P. H. Sidiropoulos, N. Di Palo, D. E. Rivas, S. Severino, M. Reduzzi, B. Nandy, B. Bauerhenne, S. Krylow, T. Vasileiadis, T. Danz, P. Elliott, S. Sharma, K. Dewhurst, C. Ropers, Y. Joly, K. M. E. Garcia, M. Wolf, R. Ernstorfer, J. Biegert
Summary: The detection of energy conversion pathways between photons, charge carriers, and the lattice is crucial for understanding fundamental physics and advancing materials and devices. Attosecond core-level x-ray absorption fine-structure spectroscopy (XANES) provides a clear and simultaneous view of the temporal evolution of the photon-carrier-phonon system, revealing surprising new results. By applying this method to graphite, complex mechanisms involving electrons, holes, and optical phonons were elucidated, showcasing the utility of core-level XANES with attosecond temporal resolution for studying energy flow inside materials.
Article
Chemistry, Physical
Xiaokang Sun, Kai Liu, Nie Zhao, Fenggang Bian, Chunming Yang, Yuying Huang
Summary: In this study, the morphological evolution of block copolymer films during the thermal-induced self-assembly process was investigated. It was found that the formation of ordered structure in the films was mainly determined by phase separation of block molecules followed by growth of grains in the nanodomain. Additionally, better-order nanodomains were obtained with thermal annealing at a faster heating rate.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Chemistry, Physical
Shuai Yang, Xuewen Li, Tingyuan Tan, Jianing Mao, Qing Xu, Minghao Liu, Qiyang Miao, BingBao Mei, Panzhe Qiao, Songqi Gu, Fanfei Sun, Jingyuan Ma, Gaofeng Zeng, Zheng Jiang
Summary: This study presents a novel strategy to fabricate 2D carbon nanorods from COFs and investigates their catalytic performance in the oxygen reduction reaction. The resulting catalyst exhibits high catalytic activity and provides new insights into the development of single atom catalysts.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Chemistry, Physical
Huan Zhang, Zhaofeng Liang, Chaoqin Huang, Lei Xie, Hongbing Wang, Jinping Hu, Zheng Jiang, Fei Song
Summary: Thermocatalytic CO2 reduction reaction is a promising strategy to reduce CO2 emissions. The catalytic role of the bismuth/copper interface in CO2 reduction was investigated, and the dissociation site evolution of the Bi-Cu bimetallic heterostructure was revealed, offering guidance for improving the efficiency of thermocatalytic CO2RR.
JOURNAL OF CATALYSIS
(2022)
Article
Chemistry, Physical
Qiao Yuan, Yating Gu, Siquan Feng, Xiangen Song, Jiali Mu, Bin Li, Xingju Li, Yutong Cai, Miao Jiang, Li Yan, Jingwei Li, Zheng Jiang, Yingxu Wei, Yunjie Ding
Summary: This study discovers the sulfur-promoted performance in olefin hydrocarboxylation reactions on a single-metal-site catalyst. Experimental and theoretical studies reveal the role of sulfur in the reaction mechanism and provide potential insights for further applications of HSMSCs.
Article
Chemistry, Physical
Qi Lei, Jiaqian Zhang, Zhaofeng Liang, Yang Yue, Zhiguo Ren, Yuanhe Sun, Zeying Yao, Ji Li, Yuanxin Zhao, Yaru Yin, Ping Huai, Zhengxing Lv, Jiong Li, Zheng Jiang, Wen Wen, Xiaolong Li, Xingtai Zhou, Daming Zhu
Summary: In this study, an ingenious synthesized CuS1-x@polyaniline (PANI) is proposed as a conversion-type Zn-metal-free anode for aqueous Zn-ion batteries (AZIBs). The utilization of organic-inorganic heterointerfaces and S-vacancies allows for stable anode structure and enhanced Zn2+ storage. The CuS1-x@PANI exhibits high reversible conversion reaction and demonstrates excellent cycling performance and abuse tolerance when paired with the optimized ZnxMnO2 cathode.
ADVANCED ENERGY MATERIALS
(2022)
Article
Chemistry, Physical
Jiajia Shi, Yao Wei, Leilei Zhang, Dan Zhou, Zhounan Yu, Shengxin Zhang, Xiaofeng Yang, Ji Yang, Yang Su, Zheng Jiang, Aiqin Wang
Summary: This study reports for the first time the significant promotional effect of potassium on the Co-N-C single-atom catalyst for the direct dehydrogenation of ethylbenzene. The introduction of potassium resulted in the formation of Co-O-K moiety, which facilitated the heterolytic cleavage of the C-H bond of ethylbenzene, achieving the highest steady-state reaction rate reported thus far.
Article
Materials Science, Paper & Wood
Zhi Xiong, Yulong Li, Mingxing Zhang, Xuanzhi Mao, Rongfang Shen, Jiangtao Hu, Qianhong Gao, Minglei Wang, Guozhong Wu
Summary: The study presents a method for immobilizing graphitic carbon nitride onto cotton fabric using electron beam irradiation, resulting in a durable photocatalytic coating with excellent degradation activity. The immobilized coating remained stable even after multiple laundering cycles.
Article
Polymer Science
Xinxin Feng, Yulong He, Zhe Xing, Mingxing Zhang, Rong Li, Guozhong Wu
Summary: Aminated PE/PP NWF was synthesized through radiation grafting and ring-opening reaction, and its adsorption performance on Pt(IV) was investigated under different parameters. The results showed that the adsorbent had high adsorption capacity, good adsorption selectivity, and excellent performance over a wide pH range.
JOURNAL OF APPLIED POLYMER SCIENCE
(2023)
Article
Chemistry, Physical
Fan Zhang, Zhenyan Ji, Qiang Zhang, Rongfang Shen, Zhe Xing, Guozhong Wu
Summary: This study investigated the species and decay behaviors of free radicals generated in COCs during radiation sterilization using electron spin resonance spectroscopy. It also proposed a free radical reaction mechanism for COCs under different post-processing conditions.
RADIATION PHYSICS AND CHEMISTRY
(2023)
Article
Nuclear Science & Technology
Wan-Ning Ren, Xin-Xin Feng, Yu-Long He, Ming-Lei Wang, Wan-Feng Hong, Hong-Wei Han, Jiang-Tao Hu, Guo-Zhong Wu
Summary: Direct collection of uranium from low uranium systems via adsorption remains challenging. Fibrous sorbent materials with amidoxime (AO) groups are promising adsorbents for uranium extraction from seawater. The utilization of AO adsorption groups is improved by fabricating a branched structure containing AO groups on polypropylene/polyethylene spun-laced nonwoven (PP/PE SNW) fibers using grafting polymerization induced by radiation (RIGP). The adsorbent material shows a high adsorption capacity and good stability, demonstrating its potential for seawater uranium extraction.
NUCLEAR SCIENCE AND TECHNIQUES
(2023)
Article
Instruments & Instrumentation
Yang Liu, Feng Tian, Ping Zhou, Huachun Zhu, Jiajia Zhong, Min Chen, Xiuhong Li, Yuying Huang, Jingyuan Ma, Fenggang Bian
Summary: Developing the synchrotron radiation experiment method based on combined technology provides more insights into the formation mechanism and properties of new materials. A new combined small-angle x-ray scattering/wide-angle x-ray scattering/Fourier-transform infrared spectroscopy (SAXS/WAXS/FTIR) setup was established to simultaneously obtain x-ray and FTIR signals from the same sample. This setup allows real-time observation of the microstructure evolution during the synthesis of composite materials at atomic and molecular levels.
REVIEW OF SCIENTIFIC INSTRUMENTS
(2023)
Article
Polymer Science
Chunlei Dong, Xuanzhi Mao, Qingru Liang, Minglei Wang, Maojiang Zhang, Jianbing Chen, Jiangtao Hu, Guozhong Wu
Summary: In this study, a novel organic-inorganic hybrid material (PMMA-HBPSi) derived from methyl methacrylate and hyperbranched polysiloxane was fabricated via gamma-radiation curing. The hybrid material exhibited improved thermal stability, optical characteristics, and dielectric properties, as well as reduced UV transmittance. The findings suggest that this new approach is suitable for developing high-performance organic glasses for optical, aviation, and electronic applications.
JOURNAL OF APPLIED POLYMER SCIENCE
(2023)
Article
Chemistry, Physical
Lushan Ma, Ning Liu, Bingbao Mei, Kang Yang, Bingxin Liu, Kai Deng, Ying Zhang, Hao Feng, Dong Liu, Jingjing Duan, Zheng Jiang, Hui Yang, Qiang Li
Summary: This study presents an in situ-activated indium nanoelectrocatalyst derived from InOOH nanosheets, capable of efficiently conducting CO2RR at ultralow overpotentials with high selectivity towards formate production. The catalyst operates with near-unity CO2RR selectivity in a wide overpotential window of -0.25 to -0.49 V versus reversible hydrogen electrode, showcasing promising activity for CO2 electroreduction.
Article
Chemistry, Physical
Siran Zhang, Wei Zhou, Jianing Mao, Kang An, Ningyan Li, Tian Qin, Liwei Chen, Xi Liu, Bingbao Mei, Zheng Jiang, Zhong-Li Wang, Yusuke Yamauchi, Yuan Liu
Summary: This study demonstrates that the introduction of Ru ions in the LaNiO3 support can result in super anti-sintering performance of Pt nanoparticle catalyst. The experimental and theoretical evidence shows that Ru ions form stable interface bonding with Pt and enhance the Pt-O bonding on LaNiO3, preventing the sintering of Pt particles.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Multidisciplinary
Chun Fang Wen, Min Zhou, Peng Fei Liu, Yuanwei Liu, Xuefeng Wu, Fangxin Mao, Sheng Dai, Beibei Xu, Xue Lu Wang, Zheng Jiang, P. Hu, Shuang Yang, Hai Feng Wang, Hua Gui Yang
Summary: In this study, a strategy based on local sulfur doping of a Cu-based metal-organic framework precatalyst was developed for enhancing ethylene selectivity in the CO2 reduction reaction. Experimental and theoretical studies showed that the Cu-S motif played a key role in the catalytic process of the precatalyst.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
