Results 61 to 70 of about 17,263 (255)

Structural elucidation, spectroscopic profile, and nonlinear optical properties of 1-ethoxy-2-methoxy-4-(2-nitroethenyl) benzene: A DFT approach

Results in Chemistry
An organic compound, 1-ethoxy-2-methoxy-4-(2-nitroethenyl) benzene (EMNB), was investigated using experimental and density functional theory (DFT) methods.
N. Sreelekshmi, S. Bushramol, C. Ravikumar   +2 more
doaj   +1 more source

Near‐Unity Selectivity Inversion Between CO2 Electroreduction and H2 Evolution via Atomic Coordination Editing

Advanced Science, EarlyView.
Atomic coordination editing functions as an on/off switch that toggles single‐atom catalysts between CO2 electroreduction and hydrogen evolution. ABSTRACT Precise atomic coordination editing of single‐atom catalysts (SACs) provides an effective strategy to tune their electronic structures and catalytic selectivity. Yet, achieving near‐unity selectivity
Yukun Zhao, Yuanyuan He, Mengyu Duan, Peng Yin, Jinxing Chen, Xu Han, Jie Yang, Yulin Wang, Xingjie Fu, Shibo Xi, Chuncheng Chen, Jiong Lu   +11 more
wiley   +1 more source

Raman and FT-IR Spectroscopy Coupled with Machine Learning for the Discrimination of Different Vegetable Crop Seed Varieties

Plants
The aim of this research is to investigate the potential of Raman and FT-IR spectroscopy as well as mathematical linear and non-linear models as a tool for the discrimination of different seed varieties of paprika, tomato, and lettuce species.
Stefan M. Kolašinac, Marko Mladenović, Ilinka Pećinar, Ivan Šoštarić, Viktor Nedović, Vladimir Miladinović, Zora P. Dajić Stevanović   +6 more
doaj   +1 more source

Study on the Reaction Mechanism of RuOx and Its Enhanced Hydrogen Evolution Reaction Activity

Advanced Science, EarlyView.
In situ Raman spectroscopy and DFT calculations reveal that, prior to the onset of HER, the surface of RuOx undergoes reversible reduction and structural reconstruction. The resulting Ru(II)O/Ru(IV)O2 configuration is identified as the true catalytically active species.
Liquan Zhang, Haobo Dong, Jianrui Feng, Longxiang Liu, Fei Guo, Liqun Kang, Guoliang Chai, Mohamed A. Ghanem, Xinde Chen, Ivan P. Parkin   +9 more
wiley   +1 more source

Front‐Loading Zn2+ via Lattice‐Breathing‐Enabled Early‐Stage Co‐Intercalation for Ultrastable Zn‐Ion Batteries

Advanced Science, EarlyView.
This study introduces In3+ into δ‐MnO2 to create a lattice breathing effect via a dynamic strain field, which establishes efficient ″ polaronic superhighways″ for charge transport. We uncover an unconventional two‐stage (Zn2+/H+ co‐insertion followed by Zn2+‐dominant) mechanism that enables reversible structural adjustment. This approach simultaneously
Haitao Li, Min Bu, Songlin Li, Huili Cao, Qi Lei, Yang Wang, Limin Zhou, Haigang Liu, Shumin Yang, Zhenhua Chen, Ying Zou, Bo Sun, Wen Wen, Yong Wang, Xiangzhi Zhang, Renzhong Tai   +15 more
wiley   +1 more source

Ti‐Doping Activates Adjacent Zr Sites in Bimetallic MOFs for Cooperative Phospholipid Removals in Human Biomonitoring

Advanced Science, EarlyView.
Ti‐doped Zr/Ti bimetallic MOFs activate neighboring Zr sites to selectively capture phospholipids from serum through cooperative interactions. In nontargeted screening, the material minimizes matrix interference, expands detectable feature coverage, and enables broad recovery of diverse chemical hazards, providing a powerful cleanup strategy for LC ...
Yanmin Liang, Hongyue Ma, Feier Bai, Jing Zhang, Yan Qi, Bing Shao   +5 more
wiley   +1 more source

Coordination‐Tuned Iridium Single‐Atom Nanozymes Boost Multienzyme Activity for Colorimetric Sensing

Advanced Science, EarlyView.
Breaking the coordination symmetry of Ir single‐atom sites through asymmetric Ir–N3S1 engineering tailors interfacial electron transfer, oxygen activation, and multienzyme‐like catalytic pathways. Operando spectroscopy and theoretical modeling uncover the atomic‐level origin of activity enhancement, providing a strategy for designing multifunctional ...
Tao Li, Xinyu Zhang, Jiashan Xia, Mengyu Wu, Cong Liu, Yapei Sun, Wanjiang Zhao, Min Qian, Wei Wang, Weixia Duan, Shangcheng Xu   +10 more
wiley   +1 more source

Application of Vibrational Spectroscopy Supported by Theoretical Calculations in Identification of Amorphous and Crystalline Forms of Cefuroxime Axetil

The Scientific World Journal, 2015
FT-IR and Raman scattering spectra of cefuroxime axetil were proposed for identification studies of its crystalline and amorphous forms. An analysis of experimental spectra was supported by quantum-chemical calculations performed with the use of B3LYP ...
Alicja Talaczyńska, Kornelia Lewandowska, Anna Jelińska, Piotr Garbacki, Agnieszka Podborska, Przemysław Zalewski, Irena Oszczapowicz, Adam Sikora, Maciej Kozak, Judyta Cielecka-Piontek   +9 more
doaj   +1 more source

Application of micro-raman and ft-ir spectroscopy in forensic analysis of automotive topcoats in the Republic of Macedonia

Macedonian Journal of Chemistry and Chemical Engineering, 2008
Raman and infrared spectroscopy are two complementary spectroscopic techniques that can produce fast, efficient and accurate detection of the pigments and/or binders used in automotive topcoats.
Maja Skenderovska, Biljana Minčeva-Šukarova, Liljana Andreeva   +2 more
doaj   +1 more source

Rare‐Earth–Sulfur Surface Modification Enables SiC Ceramics for Low‐Frequency Electromagnetic Wave Absorption in Extreme Environments

Advanced Science, EarlyView.
By altering surface chemical bonds to prolong relaxation time and shift absorption to lower frequencies, SiC/rare earth–sulfur (RE─S, RE = La, Ce, Pr, Sm, Gd, Er) materials achieve excellent low‐frequency electromagnetic wave absorption under extreme conditions, offering a new direction for designing high‐performance SiC‐based absorbers.
Zhanming Wu, Xiaojun Zeng, Yu‐Nan Tan, Chi Yu, Nuohua Xie, Yanfeng Gao   +5 more
wiley   +1 more source