Results 121 to 130 of about 3,170,537 (296)

Phase Engineering of Atomically Precise Nanoclusters (APNCs) of Gold and Beyond

Advanced Materials, EarlyView.
Engineering the structural phase of materials is of paramount importance for both fundamental research and practical applications. In this Review, we summarize the recent progress in controlling the phases of atomically precise nanoclusters (APNCs) of gold, silver and copper, as well as bimetallic systems. The phase‐enabled material properties of APNCs
Yitong Wang, Avirup Sardar, Weijie Ji, Zhongyu Liu, Rongchao Jin   +4 more
wiley   +1 more source

Multimodal graph fusion with statistically guided parsimonious descriptor selection for molecular property prediction

Journal of Cheminformatics
Graph convolutional networks (GCN) are effective for learning molecular representations, but their reliance on local message passing and simple feature concatenation limits their ability to capture global physicochemical properties.
Yoonsuk Jang, Juyeon Lee, Keunhong Jeong, Jaeoh Kim   +3 more
doaj   +1 more source

Molecular modeling for physical property prediction [PDF]

, 2006
Multiscale modeling is becoming the standard approach for process study in a broader framework that promotes computer aided integrated product and process design.
Joulia, Xavier, Gerbaud, Vincent
core  

Recent Progress in the Phase‐Controlled Synthesis of Ruthenium Nanocrystals for Catalytic Applications

Advanced Materials, EarlyView.
Template effect and kinetic control enable crystal‐phase engineering of Ru nanocrystals, granting access to either metastable fcc‐Ru or stable hcp‐Ru with distinct surface structures, thermal stabilities, and catalytic behaviors. Moreover, the hcp‐Ru can further serve as an epitaxial template to direct Pd and Rh nanocrystals into the metastable hcp ...
Jianlong He, Zhiqi Wang, Jiaqi Guan, Younan Xia   +3 more
wiley   +1 more source

Phase Engineering of Nanomaterials (PEN): Evolution, Current Challenges, and Future Opportunities

Advanced Materials, EarlyView.
This review summarizes the synthesis, phase transition, advanced characterization spanning ex situ to in situ and operando techniques, and diverse applications of phase engineering of nanomaterials (PEN). It further outlines key challenges and future opportunities, such as phase stability, architecture control, and artificial intelligence (AI)‐driven ...
Ye Chen, Zhanxi Fan, Jingjie Ge, Qiyuan He, Zhuangchai Lai, Jiawei Liu, Chaoliang Tan, Hua Zhang   +7 more
wiley   +1 more source

Exploring physicochemical property interplay in asthma drug molecules via connectivity-based graph descriptors and learning models

Discover Applied Sciences
Chemical graph theory offers a mathematical foundation for representing molecular structures and predicting their physicochemical properties. In this study, we employ generalized sum connectivity indices derived from hydrogen-suppressed molecular graphs ...
Sadia Noureen, Nazma Ashraf, Saood Azam, Eman Fatima, Adnan Aslam, Keneni Abera Tola   +5 more
doaj   +1 more source

Hydrophobic MFI‐Type Zeolites via Alkali‐Cation‐Induced Defect Healing: Implications for Adsorbent and Catalyst Design

Advanced Materials, EarlyView.
Sub‐stoichiometric amounts of Na+ or K+ enhance defect healing during Silicalite‐1 (MFI) and TS‐1 calcination by promoting Si–O–Si annealing and healing framework vacancies. The resulting defect‐free zeolites are more hydrophobic and show improved butanol/water separation and improved activity and selectivity in the epoxidation of 1‐hexene, offering a ...
Christos Kanteler, Pau Ferri, Francisco Javier Escobar‐Bedia, Álvaro Mayoral, Alejandro Vidal‐Moya, Richard Kendra, Chen Lei, Miguel Palomino, Fernando Rey, Lukáš Grajciar, Christopher James Heard, Pedro Serna, Mercedes Boronat, Cristina Martínez, Manuel Moliner   +14 more
wiley   +1 more source

Polymeric Sorbents as Energy‐Efficient Alternative to Cryogenic Distillation for Light Hydrocarbon Purification

Advanced Materials, EarlyView.
The transition from cryogenic distillation to polymeric sorbents for light hydrocarbon purification is crucial for energy and environmental sustainability. The polymeric sorbents are engineered to separate gas mixtures based on their specific properties.
Kelechi Festus, Ankit Mondal, Suman Mandal, Jazmine Aiya D. Marquez, Arnab Ghosh, Aishi Sikdar, Urme Podder, Ahana Sarkar, Qingsheng Wang, Hong‐Cai Zhou   +9 more
wiley   +1 more source

Revisiting methodology determining property investment valuation methods [PDF]

, 2007
By nature, property is an expensive and emotive commodity. Moreover, property economists – as indeed all economists – are faced with the growing complexity of their field. Although globalisation affects every commodity, property is increasingly subject
Redfern, Meghan, Kleinschmidt, Christopher R., Paice, Tristan, Vanarey, Michael Y., Walsh, Michael   +4 more
core  

Sustainable and Multifunctional Natural Macromolecular Polymers for Aqueous Zn Metal Batteries

Advanced Materials, EarlyView.
We comprehensively review the structure‐function relationships and regulatory mechanism of natural macromolecular polymers in stabilizing zinc anodes at the microscopic and mesoscopic scales. The interactions among polymer structures, optimization strategies, and regulatory mechanisms are discussed systematically summarizing recent related research ...
Yunuo Shi, Bo Jiang, Jingcheng Zhang, Xiaodong Shao, Peixun Xiong, Lutong Shan, Shengyang Huang, Mengfang Liang, Mengyao Chang, Fangyan Liu, Wenwu Li, Baoyu Xia, Wei Ji, Ho Seok Park   +13 more
wiley   +1 more source