Results 211 to 220 of about 336,273 (367)

ENDOR Characterization of (N₂)Fe^II(μ-H)₂Fe^I(N₂)⁻: A Spectroscopic Model for N₂ Binding by the Di-μ-hydrido Nitrogenase Janus Intermediate

, 2018
Hao Yang, Jonathan Rittle, Amy R. Marts, Jonas C. Peters, Brian M. Hoffman   +4 more
openalex   +2 more sources

A Machine Learning Perspective on the Brønsted–Evans–Polanyi Relation in Water‐Gas Shift Catalysis on MXenes

Advanced Intelligent Discovery, EarlyView.
Machine learning predicts activation energies for key steps in the water‐gas shift reaction on 92 MXenes. Random Forest is identified as the most accurate model. Reaction energy and reactant LogP emerge as key descriptors. The approach provides a predictive framework for catalyst design, grounded in density functional theory data and validated through ...
Kais Iben Nassar, Tiago L. P. Galvão, José D. Gouveia, José R. B. Gomes   +3 more
wiley   +1 more source

Harnessing Entropic Effects from Interlayer Coupling to Modulate Ion Transport and Rectification in Multilayered Janus Graphene Nanopores. [PDF]

J Am Chem Soc
Li S, Zhang X, Dong X, You X, Yuan B, Yang K.   +5 more
europepmc   +1 more source

Graph Attention Neural Networks for Interpretable and Generalizable Prediction of Janus III–Vi Van Der Waals Heterostructures

Advanced Intelligent Discovery, EarlyView.
A crystal graph neural network based on the attention mechanism is proposed in this work. The model dynamically weights features through the attention mechanism, enabling precise prediction of properties of material from structural features. Here, taking Janus III–VI van der Waals heterostructures as a representative case, the properties have been ...
Yudong Shi, Zhao Zheng, Yinggan Zhang, Zhou Cui, Peng Lin, Cuilian Wen, Baisheng Sa, Zhimei Sun   +7 more
wiley   +1 more source

Advancements in Graphdiyne‐Based Multiscale Catalysts for Green Hydrogen Energy Conversion

Advanced Intelligent Discovery, EarlyView.
This review systematically explores the fundamental characteristics of graphdiyne (GDY), cutting‐edge field of GDY‐based multiscale catalysts within sustainable energy conversion systems.Special emphasis is placed on the structure‒property relationships in different reactions.
Qian Xiao, Lu Qi, Siao Chen, Yurui Xue
wiley   +1 more source

Programmable Nanoscale Motion via Molecular Patterning on DNA Origami

Angewandte Chemie, EarlyView.
DNA origami nanorods enable precise urease placement with tunable coverage and asymmetry, revealing that propulsion depends on a balance of catalytic loading and geometry. Maximum speed occurs at ∼25% end‐coverage and declines as enzyme distribution becomes more symmetrical.
Lars Paffen, Maurik Engelbert van Bevervoorde, Andoni Rodriguez‐Abetxuko, Loai Abdelmohsen, Remco van der Hofstad, Jan C.M. van Hest, Tania Patiño Padial   +6 more
wiley   +2 more sources

Large In-Plane Piezoelectricity of 2D Janus Znbri: Multiscale Prediction

, 2021
Jian Qiu, Bao Zhu, Hui Li, Xianping Chen, Fusheng Zhang, Haojie Guo, Xiaodong Liu, Jiading Bao, Jiabing Yu   +8 more
openalex   +1 more source

Smart Bioinspired Material‐Based Actuators: Current Challenges and Prospects

Advanced Intelligent Systems, Volume 7, Issue 3, March 2025.
This work gathers, in a review style, an extensive and comprehensive literature overview on the development of autonomous actuators based on synthetic materials, bringing together valuable knowledge from several studies. Furthermore, the article identifies the fundamental principles of actuation mechanisms and defines key parameters to address the size
Alejandro Palacios, Léon Chiriatti, Simon Poppinga, Thomas Speck, Vincent Le Houérou   +4 more
wiley   +1 more source

Atomically Resolved Defects Modulate Electronic Structure in Plasma-Assisted 2D Janus MoSSe Monolayers. [PDF]

ACS Nano
Yang ZL, Lin YC, Chaudhary M, Lin LS, Huang CY, Lin YJ, Chou JP, Chen LC, Chen KH, Chueh YL, Chiu YP.   +10 more
europepmc   +1 more source

Flexible Self‐Cleaning Janus Emitter for Transparent Radiative Cooling in Enclosed Spaces

Junkyeong Park, Hangyu Lim, Harit Keawmuang, Dongwoo Chae, Heon Lee, Junsuk Rho   +5 more
openalex   +2 more sources