Results 171 to 180 of about 51,609 (309)

Ultrathin Li Metal Anodes: Quantitative Design Principles and Manufacturability Across Liquid and Solid‐State Batteries

Advanced Materials, EarlyView.
Ultrathin lithium metal anodes (≤15 µm) offer a promising route to high‐energy‐density batteries due to their high capacity and low potential. This review presents design principles for ultrathin Li, evaluates fabrication strategies, and discusses challenges in liquid and solid‐state cells.
Cheng Wang, Caoyu Wang, Shuixin Xia, Jodie A. Yuwono, Mingnan Li, Yanqiu Lyu, Ruizhi Zhang, Jun Wang, Jianfeng Mao, Zaiping Guo   +9 more
wiley   +1 more source

A novel topological index for coding of alternant systems

, 2003
1295-1297Starting with the concept of T(A) graphs for alternant hydrocarbons, a novel topological index is defined. The index differentiates isomeric as well as isospectral molecules very well.
Turker, Lemi, Türker, Burhan Lemi
core  

Graph-Theoretical Approach for Predicting Physicochemical Properties of Stiff-Person Syndrome Drugs. [PDF]

ChemistryOpen
Ali J, Ali Y, Malik MA, Shang Y.
europepmc   +1 more source

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

Degree-Based Topological Indices and Machine Learning for QSPR Modeling of Arthritis Drugs. [PDF]

ACS Omega
Tang JH, Noureen S, Ashraf N, Azam S, Aslam A.   +4 more
europepmc   +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

Zagreb indices of hyper carbon nanotube graphs. [PDF]

Discov Nano
Shabbir A, Nadeem MF, Bashir Y, Husin MN, Muda Y.   +4 more
europepmc   +1 more source

Double‐Sided Mechanical Interlocking Enables Soft‐Rigid Conductive Interfaces With a Record High Toughness for Flexible Electronics

Advanced Materials, EarlyView.
A double‐sided mechanical interlocking strategy is developed to create robust electrical contact between polymer electrode and metal interconnect. The fibrous structure enables formation of thread–hole adhesion, which only breaks under bulk failure and achieves a record high interfacial energy exceeding 730 J·m−2. This adhesion secures the integrity of
Gang Li, Minkun Cai, Chunyan Cao, Zengbai Ouyang, Hong Fu, Lingyu Zhao, Bingang Xu   +6 more
wiley   +1 more source

Chromatic hyper Zagreb topological descriptors and QSPR analysis of certain skin cancer drugs. [PDF]

Front Chem
Pavithra R, Ravi Sankar J.
europepmc   +1 more source

Nonlocal Metaspire: A Scalable Elastic Material Platform With Decoupled Mechanical Modes

Advanced Materials, EarlyView.
Nonlocal Metaspire introduces sequential rotation to realize wider scalability in implementing complex nonlocal couplings in elastic metamaterials while suppressing unintended mode coupling. Numerical results clarify the underlying wave motions, demonstrate mode‐decoupled roton and maxon formation, and support a straightforward extension to higher ...
Seung Han Kim, Myung Hwan Bae, Ye Jeong Shin, Joo Hwan Oh   +3 more
wiley   +1 more source