Results 111 to 120 of about 34,303 (229)

Machine Learning Accelerated Computational Design of Bio‐Inspired Catalysts in the Nitrogen Reduction Reaction

Advanced Materials, EarlyView.
We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano, Zihan You, Haoran Chen, Qifan Zhong, Rong‐Zhen Liao, Shaoqi Zhan   +5 more
wiley   +1 more source

Tailoring Phonon‐Driven Responses in α‐MoO3 through Isotopic Enrichment

Advanced Materials, EarlyView.
ABSTRACT The implementation of polaritonic materials into nanoscale devices requires selective tuning of parameters to realize desired spectral or thermal responses. One robust material, α‐MoO3, an orthorhombic crystal boasting three distinct phonon dispersions, provides three polaritonic dispersions of hyperbolic phonon polaritons (HPhPs) across the ...
Thiago S. Arnaud, Ryan W. Spangler, Johnathan D. Georgaras, Jonah B. Haber, Daniel Hirt, Maximilian Obst, Gonzalo Álvarez‐Pérez, Mackey Long III, Felix G. Kaps, Jakob Wetzel, Courtney Ragle, John E. Buchner, Youngji Kim, Aditha S. Senarath, Richarda Niemann, Mingze He, Giulia Carini, Unai Arregui‐Leon, Akash C. Behera, Ramachandra Bangari, Nihar Sahoo, Niels C. Brumby, J. Michael Klopf, Martin Wolf, Lukas M. Eng, Susanne C. Kehr, Thomas G. Folland, Alexander Paarmann, Patrick E. Hopkins, Felipe Jornada, Jon‐Paul Maria, Joshua D. Caldwell   +31 more
wiley   +1 more source

Deep Learning Inverse Design of Phase‐Change Reconfigurable Terahertz Metadevices for Multidimensional Secure Communication

Advanced Materials, EarlyView.
A deep learning inverse‐design framework is established to create versatile reconfigurable terahertz metadevices. By synergizing deep learning with phase‐change materials, this approach enables on‐demand customization of multidimensional electromagnetic responses.
Yisheng Dong, Xieyu Chen, Aarthy Nagarajan, Yi Yang, Zhihao Wang, Rui Yu, Chuang Zheng, Chunmei Ouyang, Xueqian Zhang, Tun Cao, Ranjan Singh, Zhen Tian   +11 more
wiley   +1 more source

High Center‐of‐Mass, Multi‐Legged Soft Robots Powered by Geometrically Encoded Liquid Crystal Elastomer Arc Appendages

Advanced Materials, EarlyView.
Inspired by the octopus and the golden wheel spider, soft robots with liquid crystal elastomer arc fibers as appendages are fabricated to transcend surface constraints through an elevated center of mass and minimal contact footprints. By leveraging curvature‐encoded deformation‐recovery cycles, these robots exhibit contractile, torsional, and flexural ...
Jong Bin Kim, Antonio Proctor Martinez, Yaoye Hong, Ziyun Zhang, Kun‐Yu Wang, Shu Yang   +5 more
wiley   +1 more source

Coherent-resonant netting: disorder-enhanced selectivity from transient wave-like dynamics on biological connectomes. [PDF]

Front Comput Neurosci
Dolgikh O.
europepmc   +1 more source

Cell Adhesion by Design: Engineering Tissue Culture Scaffolds With Adhesion Cues

Advanced Materials Interfaces, EarlyView.
ABSTRACT In scaffold‐based tissue engineering, the matrix should provide adequate adhesion cues for cell attachment, spreading, and function. Given the multitude of adhesion receptors and the diversity of scaffolds, there are many approaches to render scaffolds adhesive, even though they are not all equivalent.
Dalia Dranseike, Dhananjay V. Deshmukh, Mark W. Tibbitt, Céline Labouesse   +3 more
wiley   +1 more source

Topological regions and experimental carcinogenicity data of polycyclic aromatic hydrocarbons: a comprehensive resource for prediction models. [PDF]

BMC Res Notes
Welearegay M, Holas A, Balawender R, Ayers PW, Chan M, Heidar-Zadeh F.   +5 more
europepmc   +1 more source

Conductive Additives for Next‐Generation Batteries: Emphasizing the Potential of Bio‐Derived 3D Carbon Architectures at Electrode–Electrolyte Interfaces

Advanced Materials Interfaces, EarlyView.
3D conductive frameworks can maintain continuous electron transport, mechanical stability, and interfacial integrity, helping next‐generation batteries operate more efficiently. This Review examines their relevance to Si anodes, all‐solid‐state batteries, and dry‐processed electrodes, and highlights bio‐derived carbons as sustainable, structurally ...
SeoYoung Ha, Inseo Ko, Jongyoung Choi, Weon Ho Shin, Sung Cik Mun, Jong Ho Won   +5 more
wiley   +1 more source

Simulating targeted vaccination strategies with network-based and agent-based models: A scoping review. [PDF]

PLOS Glob Public Health
Al-Amery A, Al-Qudah R, Herrera-Diestra J, Ertem MZ.   +3 more
europepmc   +1 more source

Measuring and Manipulating Density of States in Two‐Dimensional Materials With Electrochemical Capacitance

Advanced Materials Interfaces, EarlyView.
We report electrochemical quantum capacitance spectroscopy as an ambient, in situ probe for defect‐mediated electronic structure at 2D material interfaces. Using monolayer MoS2, the method resolves band edges and vacancy states, tracks sulfur‐vacancy evolution during hydrogen evolution, and links interfacial density‐of‐states changes to nearly ...
Mengyu Yan, Mitchell Kaiser, Maria L. Sushko, Xiaobin Liao, Hao Tang, Chun‐Chih Tseng, Matthew Yankowitz, Ying Xia, Jihui Yang, Jun Liu   +9 more
wiley   +1 more source