Theoretical Study of Cubic Boron Nitride Nanoparticles for Photocatalytic and Catalytic Applications [0.03%]
理论研究立方氮化硼纳米颗粒在光催化和催化中的应用
Shinwar A Idrees
Shinwar A Idrees
Cubic boron nitride (c-BN) is a promising catalyst or catalyst substrate with good thermal, chemical, and mechanical stability. However, the large bandgap (Eg) limits its photocatalytic activity under visible light, but it is able to work i...
Physicochemical Characterization and Diclofenac Adsorption on Biocarbon Derived from Corn Digestate [0.03%]
玉米消化物衍生生物碳的理化表征及消炎痛吸附性能研究
Robert Wolski,Dorota Paluch,Robert Pietrzak
Robert Wolski
The valorization of digestate from agricultural biogas plants into functional carbon adsorbents offers a route to combine waste management with water purification. Herein, corn digestate was converted into physically activated biocarbon by ...
Structure-Property Relationships in 5-Aminosalicylic Acid-Functionalized Poly(GMA-co-EGDMA) Microspheres: Porosity, Thermal Stability, and Cr(VI) Sorption [0.03%]
具有5-氨基水杨酸功能团的聚（GMA-co-EGDMA）微球的结构-性能关系：介孔率、热稳定性及对Cr(VI)的吸附性能
Małgorzata Maciejewska
Małgorzata Maciejewska
Porous poly(glycidyl methacrylate-co-ethylene glycol dimethacrylate) microspheres with tunable functionality were synthesized via suspension-emulsion polymerization and subsequently modified with 5-aminosalicylic acid (ASA). The influence o...
Exploring B2C as Promising Anode Material for Calcium Ion Battery: DFT-D and AIMD Studies [0.03%]
基于DFT-D和AIMD计算的B2C用作钙离子电池阳极材料的可能性研究
Apoorva,Pankaj Kandwal
Apoorva
The growing interest in calcium ion batteries (CIBs) as promising alternatives to lithium-ion batteries (LIBs) is driven by plethora and affordability of calcium (Ca) resources. However, identifying suitable electrode materials is still a m...
Adsorption Removal of Selected Antibiotics From Water Using Carbon-Mineral Composites [0.03%]
用于水处理的碳-矿物质复合材料吸附去除选择性抗生素的研究
Piotr Słomkiewicz,Katarzyna Piekacz,Sabina Dołęgowska
Piotr Słomkiewicz
Carbon-mineral composites (CHS, CHNT, CKT) were tested as adsorbents for the removal of doxycycline and ciprofloxacin from aqueous solutions. Adsorption behavior was investigated under equilibrium and kinetic conditions and analyzed using p...
Adsorption/Desorption and Recovery Studies for the Systems: Gallic Acid and Propyl Gallate Solutions/Activated Carbon [0.03%]
没食子酸和丙基没食子酸盐溶液活化炭吸附/解吸及回收研究
Alicja Bosacka,Agnieszka Chrzanowska,Sonia Losada-Barreiro et al.
Alicja Bosacka et al.
The present study investigates the adsorption, desorption, and recovery behavior of two phenolic antioxidants-gallic acid (GA) and propyl gallate (PG) onto microporous activated carbon. Adsorption equilibrium and kinetic experiments were co...
Proline Ring-Inversion Dynamics in Peptides Enable Cross-Relaxation-Based Dynamic Nuclear Polarization [0.03%]
肽中的脯氨酸环翻转动力学可实现基于交叉弛豫的动态核极化
Florian Taube,Max Gierth,Georg Künze et al.
Florian Taube et al.
Dynamic nuclear polarization (DNP) is commonly used to uniformly enhance magic-angle spinning (MAS) NMR signals, but recent efforts have focused on achieving site-specific enhancement to address severe spectral crowding in large biomolecula...
Theoretical Insights Into the Phosphorescence and Excited-State Properties of Cyclometalated Pt(II) and Pd(II) Dimer Complexes [0.03%]
论环金属Pt(II)和Pd(II)二聚体配合物光致发光及激发态性质的见解
Naga Pranava Sree Kothoori,Pandiyan Sivasakthi,Mallesham Baithy et al.
Naga Pranava Sree Kothoori et al.
In this study, we performed computational studies on two tetradentate ligand precursors and their corresponding Pt(II) and Pd(II) metal complexes containing fused 6/5/6 metallocycles, whose synthesis has been previously reported. We analyze...
Theoretical Modeling of the Self-Assembly of Low-Dimensional Superstructures With Exposed Nitrogen Coordination Centers [0.03%]
具有暴露氮配位中心的低维超结构自组装的理论模型研究
Damian Nieckarz,Jakub Lisiecki,Paweł Szabelski
Damian Nieckarz
Construction of low-dimensional nitrogen-based nanostructures through self-assembly represents a promising strategy that can be effectively guided by theoretical methods. In this work, Monte Carlo simulations were employed to investigate th...
Amit Das,Palash J Thakuria,Ankur K Guha
Amit Das
Structural preference for main group compounds has always fascinated chemists. Computational discoveries have challenged some of the tenets of main group chemistry. Herein, a planar pentacoordinate nitrogen atom is presented as the global m...