Results 61 to 70 of about 1,503 (241)

Nonparametric inference of higher order interaction patterns in networks

Communications Physics
Local interaction patterns play an important role in the structural and functional organization of complex networks. Here we propose a method for obtaining parsimonious decompositions of networks into higher order interactions which can take the form of ...
Anatol E. Wegner, Sofia C. Olhede
doaj   +1 more source

Biomass Native Structure Into Functional Carbon‐Based Catalysts for Fenton‐Like Reactions

Advanced Functional Materials, EarlyView.
This study indicates that eight biomasses with 2D flaky and 1D acicular structures influence surface O types, morphology, defects, N doping, sp2 C, and Co nanoparticles loading in three series of carbon, N‐doped carbon, and cobalt/graphitic carbon. This work identifies how these structural factors impact catalytic pathways, enhancing selective electron
Wenjie Tian, Jingkai Lin, Zhihao Tian, Selusiwe Ncube, Huayang Zhang, Emiliano Cortés, Hongqi Sun, Shaobin Wang   +7 more
wiley   +1 more source

Atomic Decompositions of Periodic Electronic-Structure Simulations

The Journal of Physical Chemistry A
We present a new theory for partitioning simulations of periodic and solid-state systems into physically sound atomic contributions at the level of Kohn-Sham density functional theory. Our theory is based on spatially localized linear combinations of crystalline Gaussian-type orbitals and, as such, capable of exposing local features within periodic ...
Luna Zamok, Janus J. Eriksen
openaire   +3 more sources

Positive‐Tone Nanolithography of Antimony Trisulfide with Femtosecond Laser Wet‐Etching

Advanced Functional Materials, EarlyView.
A butyldithiocarbamic acid (BDCA) etchant is used to fabricate various micro‐ and nanoscale structures on amorphous antimony trisulfide (a‐Sb2S3) thin film via femtosecond laser etching. Numerical analysis and experimental results elucidate the patterning mechanism on gold (reflective) and quartz (transmissive) substrates.
Abhrodeep Dey, Uwe Hübner, Albane Benardais, Xiaofei Wu, Andrea Dellith, Jan Dellith, Torsten Wieduwilt, Henrik Schneidewind, Markus A Schmidt, Virginie Nazabal, Volker Deckert, Jer‐Shing Huang, Wei Wang   +12 more
wiley   +1 more source

Theoretical assessment of discharge effects on the decomposition tendency of C6F12O over metallic surfaces

High Voltage
C6F12O is proposed to be one potential eco‐friendly insulation gas to replace SF6. However, the assessment of its decomposition properties and the compatibility with metal electrodes in discharge faults is still challenging, which greatly hinders the ...
Zhaolun Cui, Yanpeng Hao, Shuangshuang Tian, Xiaoxing Zhang, Yashuang Zheng   +4 more
doaj   +1 more source

Electroactive Metal–Organic Frameworks for Electrocatalysis

Advanced Functional Materials, EarlyView.
Electrocatalysis is crucial in sustainable energy conversion as it enables efficient chemical transformations. The review discusses how metal–organic frameworks can revolutionize this field by offering tailorable structures and active site tunability, enabling efficient and selective electrocatalytic processes.
Irena Senkovska, Yutong Luo, Ruyan Zhao, Jianjun Zhang, Mingchao Wang, Xinliang Feng, Eike Brunner, Stefan Kaskel   +7 more
wiley   +1 more source

On‐Surface Indigo‐Based Bimolecular Coordination Networks with Programmable Regular or Vitreous Structure

Advanced Functional Materials, EarlyView.
A previously unreported coordination motif stabilising single Fe atoms by indigo chelation and pyridyl coordination on Au(111) has been revealed. By using planar tritopic pyridyl linkers (TPyB), extended 2D porous networks of indigo3(TPyB)2Fe6 form. These networks can be crystalline or vitreous and offer an environment where individual coordination ...
Hongxiang Xu, Ritam Chakraborty, Biao Yang, Dennis Meier, Joachim Reichert, Svetlana Klyatskaya, Mario Ruben, Shobhana Narasimhan, Johannes V. Barth, Anthoula C. Papageorgiou   +9 more
wiley   +1 more source

Supraparticles Composed of Graphitic Carbon Nitride Nanoparticles and Silica‐Supported Horseradish Peroxidase as Customizable Hybrid Catalysts for Photo‐Biocatalytic Cascade Reactions in Continuous Flow

Advanced Functional Materials, EarlyView.
Herein presented supraparticles combine the nanoparticulate photocatalyst graphitic carbon nitride with the enzyme horseradish peroxidase, which is immobilized on silica nanoparticles. In an optimized compatibility range, both catalysts operate effectively within the hybrid supraparticles and catalyze a cascade reaction consisting of the photocatalytic
Bettina Herbig, Egzon Cermjani, Doris Hanselmann, Johannes Prieschl, Angelika Schmitt, Michael S. Moritz, Christian Papp, Greta Nölke, Stefano Di Fiore, Christoph Deckers, Thomas H. Rehm, Susanne Wintzheimer   +11 more
wiley   +1 more source

Rapid Sintering of Porous Organic Polymer Powders Into Mechanically Strong Monoliths for Efficient CO2 Capture

Advanced Functional Materials, EarlyView.
Spark plasma sintering enables rapid processing of porous organic polymer (POP) from fine powders to a freestanding and mechanically robust monolith. The sintering process retains the CO2 adsorption capacity and CO2/N2 selectivity, making the monolith more suitable as a solid sorbent for practical carbon capture applications.
Duan Li, Tianhui Shi, Sirui Ran, Lei Zeng, Chao Xu   +4 more
wiley   +1 more source

Transferability of atomic energies from alchemical decomposition

The Journal of Chemical Physics
We study alchemical atomic energy partitioning as a method to estimate atomization energies from atomic contributions, which are defined in physically rigorous and general ways through the use of the uniform electron gas as a joint reference. We analyze quantitatively the relation between atomic energies and their local environment using a dataset of ...
Michael J. Sahre, Guido Falk von Rudorff, Philipp Marquetand, O. Anatole von Lilienfeld   +3 more
openaire   +4 more sources