Results 61 to 70 of about 134,957 (331)

Copper‐based Materials for Photo and Electrocatalytic Process: Advancing Renewable Energy and Environmental Applications

Advanced Functional Materials, EarlyView.
Cu‐based catalysts as a cornerstone in advancing sustainable energy technologies are fully reviewed in this manuscript, highlighting their potential in photo‐ and electrocatalysis. It includes metallic copper, copper oxides, copper sulfides, copper halide perovskites, copper‐based metal–organic frameworks (MOFs), and covalent organic frameworks (COFs),
Jéssica C. de Almeida, Yanjie Wang, Thais A. Rodrigues, Paulo H. H. Nunes, Vagner R. de Mendonça, Paulo H. E. Falsetti, Leticia V. Savazi, Tao He, Alexandra V. Bardakova, Aida V. Rudakova, Jie Tian, Alexei V. Emeline, Osmando F. Lopes, Antonio Otavio T. Patrocínio, Jia Hong Pan, Caue Ribeiro, Detlef W. Bahnemann   +16 more
wiley   +1 more source

A teoria de pearson para a disciplina de química orgânica: um exercício prático e teórico aplicado em sala de aula

Química Nova, 2014
We report a didactic experience in teaching Pearson's theory (HSAB) to graduate students in organic chemistry. This approach was based on teaching students how to use computer programs to calculate frontier orbitals (HOMO-LUMO).
Mário L. A. A. Vasconcellos
doaj   +1 more source

MnI‐Functionalized Covalent Organic Framework as Efficient Electrocatalyst for CO2 Reduction in a Catholyte‐Free Zero‐Gap Electrolyzer

Advanced Functional Materials, EarlyView.
This work demonstrates the successful integration of a phenanthroline‐based 2D COF with MnI catalytic sites into a catholyte‐free membrane‐electrode‐assembly cell for CO2 electroreduction. The crystalline COF actively suppresses Mn⁰–Mn⁰ dimerization, achieving a turnover frequency of 617 h⁻¹ at 2.8 V (full‐cell potential), and enabling stable operation.
Laura Spies, Marcos Eduardo G. Carmo, Gonçalves J. Marrenjo, Stephan Reuther, Patrick Ganswindt, Antonio Otavio T. Patrocinio, Thomas Bein, Osmando F. Lopes, Jenny Schneider   +8 more
wiley   +1 more source

Calculations of Al dopant in α-quartz using a variational implementation of the Perdew–Zunger self-interaction correction

New Journal of Physics, 2015
The energetics and atomic structure associated with the localized hole formed near an Al-atom dopant in α -quartz are calculated using a variational, self-consistent implementation of the Perdew–Zunger self-interaction correction with complex optimal ...
Hildur Gudmundsdóttir, Elvar Ö Jónsson, Hannes Jónsson   +2 more
doaj   +1 more source

Au core stabilizes CO adsorption onto Pd leading to CO2 production

Materials Today Advances, 2020
Au core and Pd shell supported on carbon structure Au@Pd/C can cleave the C–C bond of ethanol molecules leading to the production of a relatively high amount of CO2 when compared with Pd/C electrocatalyst as the attenuated total reflectance - Fourier ...
E.H. Fontes, J. Nandenha, R.F.B. De Souza, F.C.T. Antonio, P. Homem-de-Mello, A.O. Neto   +5 more
doaj   +1 more source

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

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

Short-ranged RVB physics, quantum dimer models and Ising gauge theories

, 2001
Quantum dimer models are believed to capture the essential physics of antiferromagnetic phases dominated by short-ranged valence bond configurations. We show that these models arise as particular limits of Ising (Z_2) gauge theories, but that in these ...
A. J. Heeger, A. M. Polyakov, A. M. Polyakov, B. Svetitsky, C. L. Henley, C. Mudry, D. J. Thouless, D. S. Rokhsar, E. Fradkin, E. Fradkin, E. Fradkin, E. Witten, Eduardo Fradkin, F. Wegner, G. Baskaran, H. W. J. Blöte, J. B. Kogut, J. T. Chayes, L. B. Ioffe, L. Balents, L. S. Levitov, L. Susskind, N. E. Bonesteel, N. Read, N. Read, N. Read, N. Read, P. A. Lee, P. Fazekas, P. W. Anderson, P. W. Anderson, P. W. Leung, R. A. Jalabert, R. Balian, R. Moessner, R. Moessner, R. Moessner, R. Moessner, R. Moessner, R. Savit, S. A. Kivelson, S. A. Kivelson, S. C. Zhang, S. L. Sondhi, S. L. Sondhi, S. M. Girvin, S. Sachdev, S. Sachdev, S. Sachdev, S. Sachdev, T. Regge, T. Senthil, V. J. Emery, X. G. Wen, X. G. Wen, X. G. Wen   +55 more
core   +1 more source

First-Principles-Based Dispersion Augmented Density Functional Theory: From Molecules to Crystals [PDF]

, 2010
Standard implementations of density functional theory (DFT) describe well strongly bound molecules and solids but fail to describe long-range van der Waals attractions.
Goddard, William A., III, Liu, Yi
core   +2 more sources

Pentagonal 2D Altermagnets: Material Screening and Altermagnetic Tunneling Junction Device Application

Advanced Functional Materials, EarlyView.
From a database of 170 pentagonal 2D materials, 4 candidates exhibiting altermagnetic ordering are screened. Furthermore, the spin‐splitting and unconventional boundary states in the pentagonal 2D altermagnetic monolayer MnS2 are investigated. A MnS2‐based altermagnetic tunneling junction is designed and, through ab initio quantum transport simulations,
Jianhua Wang, Xingyue Yang, Zongmeng Yang, Jing Lu, Pin Ho, Wenhong Wang, Yee Sin Ang, Zhenxiang Cheng, Shibo Fang   +8 more
wiley   +1 more source