Results 161 to 170 of about 527,698 (329)

Copper Doping Enhances the Activity and Selectivity of Atomically Precise Ag44 Nanoclusters for Photocatalytic CO2 Reduction

Advanced Functional Materials, EarlyView.
By a simple anti‐Galvanic reaction, up to six copper atoms could be preferably doped into the Ag2(SR)5 staple motifs and Ag20 dodecahedral shell of an atomically precise Ag44(SR)30 nanocluster. When anatase TiO2 is used as substrate, the (AgCu)44/TiO2 photocatalyst exhibited much improved activity in photocatalytic CO2 reduction compared to Ag44/TiO2 ...
Ye Liu, Xi Zheng, Xiufan Liu, Tengyuan Gao, Nicola Pinna, Yu Wang   +5 more
wiley   +1 more source

Structure and conformational stability of XC(O)OY (X, Y=F and Cl) molecules – ab initio and DFT studies

, 1999
P. Kolandaivel, Sundaram Arulmozhiraja
openalex   +1 more source

Search for Chirality in Hydrogenated Magnesium Nanosilicates: A DFT and TD-DFT Investigation

The Journal of Physical Chemistry A
The formation of silicate grains in the interstellar medium (ISM), especially those containing chiral surfaces such as clinopyroxenes, is poorly understood. Moreover, silicate interactions with various forms of hydrogen-proton (H+), neutral H (HI), and molecular hydrogen (H2) are of high importance as hydrogen comprises >90% of the ISM gas budget, and ...
Kamil B. Stelmach, Catherine A. Dukes, Robin T. Garrod   +2 more
openaire   +2 more sources

Enhancing CoFe Catalysts with V2CTX MXene‐Derived Materials for Anion Exchange Membrane Electrolyzers

Advanced Functional Materials, EarlyView.
MXene dervied CoFe composites show increased initial Oxygen Evolution Reaction (OER) activity compared to the pure CoFe and MXene in an Anion Exchange Membrane device. Vanadium vacancies in the MXene plays a role in increased OER activity and hinders Fe leaching in the AEM device over using the pure V2C MXene as a support material for the CoFe ...
Can Kaplan, Karuppasamy Dharmaraj, Thorsten Schultz, Leiqiang Qin, Ningjun Chen, Danielle A. Douglas‐Henry, Bastian Schmiedecke, Merve Buldu‐Akturk, Axel Zuber, Iris Dorbandt, Maximilian Reinhardt, Yael Rodriguez‐Ayllon, Yan Lu, Valeria Nicolosi, Norbert Koch, Johanna Rosen, Michelle P. Browne   +16 more
wiley   +1 more source

A Comprehensive DFT API for Scientific Computing [PDF]

, 2001
Ping Tang
openalex   +1 more source

Self‐supportive Three‐Way Photoelectrochemical System Achieving Uranium Recycling, Organic Oxidation, and Electricity Generation in Complex Waters

Advanced Functional Materials, EarlyView.
A self‐sustaining solar photoelectrochemical cell (SS‐PEC) is developed to recover uranium from aqueous UO22+ with concurrent organic oxidation and electricity production. The monolithical photoanode directly captures electrons from organic compounds, leading to the oxidation of organic compounds and the decomposition of uranium‐organic complexes ...
Yumei Wang, Qingming Zeng, Haodong Ji, Rongzhong Wang, Jiachen Wang, Yanjun Wen, Wonyong Choi, Qingyi Zeng   +7 more
wiley   +1 more source

A CLOSE ACCORD ON DFT BASED FREQUECY AND PHASOR ESTIMATORS USED IN NUMERICAL RELAYS [PDF]

, 2001
H.A. Darwish
openalex   +1 more source

Electrolyte Engineering Strategy with Catecholate Type Additive Enabled Ultradurable Zn Anode

Advanced Functional Materials, EarlyView.
A catecholate‐type molecule is proposed as a multifunctional electrolyte additive, providing a strong buffering ability as well as homogeneous (101)‐textured electroplating morphology. The modified Zn anode exhibits a remarkable rate capability, extraordinary reversibility, and superior cyclic stability.
Wenyu Liang, Dongyang Li, Rui Zhong, Sirong Tao, Yueming Zhu, Wendong Tan, Rui Xu, Yifei Yuan, Igor Zhitomirsky, Jun Lu   +9 more
wiley   +1 more source

One-Electron Reduction Product of a Biphosphinine Derivative and of Its Ni⁽⁰⁾ Complex: Crystal Structure, EPR/ENDOR, and DFT Investigations on (tmbp)^•- and [Ni(tmbp)₂]^•-

, 2000
Sylvie Choua, Helena Sidorenkova, Théo Berclaz, Michel Geoffroy, Patrick Rosa, Nicolas Mézailles, Louis Ricard, François Mathey, Pascal Le Floch   +8 more
openalex   +2 more sources

Achieving Chemical Recognition, Recycling, and Circularity With Radical Nanostructures

Advanced Functional Materials, EarlyView.
Here, innovative 3D radical nanostructures based on 4,4′‐dicyano‐2,2′‐biphenylene‐fused tetrazolinyl radical, fabricated on interdigitated gold‐SiO2 hybrid surfaces are presented. They retain their magnetic properties, their morphology and size can can tune, selectively remove them from specific substrate regions using distilled water, and return the ...
Arkaprava Das, Ewa Malgorzata Nowik‐Boltyk, Tobias Junghöfer, Elke Nadler, Farzan Gity, Paul K. Hurley, Zhimin Yang, Andrzej Rajca, Francesco Tavanti, Arrigo Calzolari, Maria Benedetta Casu   +10 more
wiley   +1 more source