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Yuting He, Jiantao Lin, Yuchuan Yang, Minghua Liu and Yifan Liu
Modified sludge biochar, recognized for its notable economic and environmental benefits, demonstrates potential as an effective catalyst for peroxydisulfate (PDS) activation. Nevertheless, the specific mechanisms underlying its catalytic performance requ...
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Yishu Cai, Fan Chen, Lingfang Yang, Lin Deng and Zhou Shi
Nanoplastics have gradually become a concern due to the wide use of plastics. Nanoplastics in aqueous phase can be exposed to users through water supply networks and cannot be efficiently removed by conventional water treatment processes. This work studi...
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Ivan Shtepliuk
This paper presents a theoretical study on the effects of selected defects (oxygen vacancies and substitutional FeZn atoms) on the structural and electronic properties of a 2D ZnO/graphene heterostructure. Spin-polarized Hubbard- and dispersion-corrected...
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Dinara Akhmetsadyk, Arkady Ilyin, Nazim Guseinov and Gary Beall
SO2 (sulfur dioxide) is a toxic substance emitted into the environment due to burning sulfur-containing fossil fuels in cars, factories, power plants, and homes. This issue is of grave concern because of its negative effects on the environment and human ...
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Suleiman Nafiu, Vitus Atanga Apalangya, Abu Yaya and Edward Benjamin Sabi
The electrical properties and characteristics of the armchair boron nitride nanotube (BNNT) that interacts with the curcumin molecule as an anticancer drug were studied using ab initio calculations based on density functional theory (DFT). In this study,...
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Jun Wang, Jia-He Chen, Zhen-Chong Chen, Zhen-Yi Wu, Xiao-Na Zhong and Jing-Ping Ke
The safety problem caused by lithium dendrite of lithium metal anode and the rapid capacity decay problem caused by the shuttle effect of polysulfide and polyselenide during the charge and discharge of selenium disulfide cathode limit the application of ...
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Nelson H. Morgon, Srijit Biswas, Surajit Duari and Aguinaldo R. de Souza
Methyl trifluoromethanesulfonate was found to catalyze the reaction of the nucleophilic substitution of the hydroxyl group of alcohols by N-heterocycles followed by X- to N- alkyl group migration (X = O, S) to obtain N-functionalized benzoxazolone, benzo...
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Gladys Casiano-Jiménez, César Ortega-López, Jairo Arbey Rodríguez-Martínez, María Guadalupe Moreno-Armenta and Miguel J. Espitia-Rico
Poor electron-related cutting current in graphene-based field-effect transistors (FETs) can be solved by placing a graphene layer over a hexagonal boron nitride (BN) substrate, as established by Giovannetti et al. and other researchers. In order to produ...
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Nicole E. Kirchner-Hall, Wayne Zhao, Yihuang Xiong, Iurii Timrov and Ismaila Dabo
Accurate computational predictions of band gaps are of practical importance to the modeling and development of semiconductor technologies, such as (opto)electronic devices and photoelectrochemical cells. Among available electronic-structure methods, dens...
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Francesco Trequattrini, Anna Celeste, Francesco Capitani, Oriele Palumbo, Adriano Cimini and Annalisa Paolone
The infrared absorption spectrum of 1-ethyl-3-methylimidazolium trifluoromethanesulfonate (EMI?TfO) was investigated at ambient pressure and variable temperatures between 120 and 330 K, or at room temperature and variable pressures up to 10 GPa. Upon coo...
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