Results 151 to 160 of about 515,767 (328)

The Discrete Fourier Transform (DFT) in Behavioural Analysis

, 1994
T. G. Forrest, Robert B. Suter
openalex   +1 more source

Sono‐Piezo‐Photosynthesis of Ethylene and Acetylene from Bioethanol under Ambient Conditions

Advanced Functional Materials, EarlyView.
A novel sono‐piezo‐photocatalytic strategy enables the conversion of bioethanol to ethylene (C2H4) and acetylene (C2H2) under ambient conditions, addressing the limitations of conventional methods that are high‐temperature and energy‐intensive. By using an advanced graphene oxide/sodium bismuth titanate heterostructure catalyst, this work achieved ...
Yue Jiang, Jiajun Zhang, Hongyang Ma, Shujie Zhou, Hsun‐Yen Lin, Sajjad S. Mofarah, Mark Lockrey, Teng Lu, Hangjuan Ren, Xiaoran Zheng, Maichael Gunawan, Suchen Huang, Yu‐Chun Huang, Fenglin Zhuo, Dali Ji, Judy N. Hart, Yun Liu, Jyh Ming Wu, Muthupandian Ashokkumar, Danyang Wang, Pramod Koshy, Charles C. Sorrell   +21 more
wiley   +1 more source

Oxidative addition of Pd to C–H, C–C and C–Cl bonds: Importance of relativistic effects in DFT calculations [PDF]

, 2001
Axel Diefenbach, F. Matthias Bickelhaupt
openalex   +1 more source

High‐Entropy Magnetism of Murunskite

Advanced Functional Materials, EarlyView.
The study of murunskite (K2FeCu3S4) reveals that its magnetic and orbital order emerges in a simple I4/mmm crystal structure with complete disorder in the transition metal positions. Mixed‐valence Fe ions randomly occupy 1/4 of the tetrahedral sites, with the remaining 3/4 being filled by non‐magnetic Cu+ ions.
Davor Tolj, Priyanka Reddy, Ivica Živković, Luka Akšamović, Jian Rui Soh, Kamila Komȩdera, Izabela Biało, Naveen Kumar Chogondahalli Muniraju, Trpimir Ivšić, Mario Novak, Oksana Zaharko, Clemens Ritter, Thomas LaGrange, Wojciech Tabiś, Ivo Batistić, László Forró, Henrik M. Rønnow, Denis K. Sunko, Neven Barišić   +18 more
wiley   +1 more source

A first-principles study of π-conjugated thiol phenothiazine derivatives adsorbed on Au(111) surface

Open Physics, 2009
Morari Cristian, Bogdan Diana, Turcu Ioan   +2 more
doaj   +1 more source

Gd‐Induced Oxygen Vacancy Creation Activates Lattice Oxygen Oxidation for Water Electrolysis

Advanced Functional Materials, EarlyView.
DFT calculations shows that Gd incorporation into Fe‐doped NiO raises the O 2p band center, lowers oxygen vacancy formation energy, and thus promotes the LOM mechanism for OER. Gd and Fe co‐doped NiO nanosheets synthesized via spray combustion exhibits a low overpotential of 227 mV and maintains stable AEMWE performance for over 120 h, demonstrating ...
Yong Wang, Yadong Liu, Sijia Liu, Yunpu Qin, Jianfang Liu, Xue Jia, Qiuling Jiang, Xuan Wang, Yongzhi Zhao, Luan Liu, Hongru Liu, Hong Zhao, Yirui Jiang, Dong Liang, Haoyang Wu, Baorui Jia, Xuanhui Qu, Hao Li, Mingli Qin   +18 more
wiley   +1 more source

An ab initio and DFT study of (N2)2 dimers

, 1999
O. Couronne, Y. Ellinger
openalex   +2 more sources

Hydration of methanol in water. A DFT-based molecular dynamics study [PDF]

, 2001
Titus S. van Erp, Evert Jan Meijer
openalex   +1 more source

Dynamic Networks via Polymerizable Deep Eutectic Monomers for Uniform Li+ Transport at Interfaces in Lithium Metal Batteries

Advanced Functional Materials, EarlyView.
The PDEM‐based SIGPE provides a dynamic nanophase from Li+‐bridged molecular self‐association, enhancing electrochemical stability and facilitating uniform Li+ ion flux at the interface. This unique solvation structure results in a hetero species‐driven inorganic‐rich SEI and long‐term cycle stability, suggesting that a PFAS‐free Li+‐containing monomer
Susung Yun, Seonho Kim, Puji Lestari Handayani, Sungyeb Jung, Jae Hyun Park, U Hyeok Choi   +5 more
wiley   +1 more source

DFT representations of Toeplitz-plus-Hankel Bezoutians with application to fast matrixvector multiplication

, 1998
Georg Heinig, Karla Rost
openalex   +1 more source