Results 111 to 120 of about 17,914 (270)

Atomic‐Level Dual‐Cation Engineering Enables High‐Performance Na4VMn(PO4)3 Cathodes for Sodium‐Ion Batteries

Advanced Functional Materials, EarlyView.
Dual‐cation site engineering unlocks stable and fast sodium storage in Na4VMn(PO4)3 cathodes. Li+ at Na2 suppresses Jahn‐Teller distortion, while K+ at Na1 expands ion channels, enabling synchronized V/Mn redox and quasi‐single‐phase kinetics. This atomic‐level strategy achieves ultralong cycling stability, high‐rate capability, and full cell viability
Jiaze Sun, Xiaoyu Hu, Xianhe Meng, Nengjun Yu, Qiaoling Kang, Lijing Yan, Meiqiang Fan, Chubin Wan, Tingli Ma   +8 more
wiley   +1 more source

Liquid Crystalline Inverted Lipid Phases and Reverse Micelles in Drug Delivery: From Molecular Design to Therapeutic Potential

Advanced Functional Materials, EarlyView.
Liquid crystalline inverted lipid phases and reverse micelles are self‐assembled lipid nanostructures that enhance the solubility, stability, and delivery of diverse therapeutics. This review integrates their physicochemical principles, formulation strategies, drug loading mechanisms, and biomedical applications, highlighting their growing ...
Numan Eczacioglu, Mulazim Hussain Asim, Soheil Haddadzadegan, Andreas Bernkop‐Schnürch   +3 more
wiley   +1 more source

On some topological indices of zero divisor graphs of direct product of three finite fields

Examples and Counterexamples
In this paper, we determine some degree-based topological indices, such as the Sombor index, the first and second Zagreb indices, the forgotten topological index, the Narumi–Katayama index, the first and second multiplicative Zagreb indices, the atom ...
Subhash Mallinath Gaded, Nithya Sai Narayana   +1 more
doaj   +1 more source

On the eccentric atom-bond sum-connectivity index

Open Journal of Discrete Applied Mathematics
The eccentric atom-bond sum-connectivity \(\left(ABSC_{e}\right)\) index of a graph \(G\) is defined as \(ABSC_{e}(G)=\sum\limits_{uv\in E(G)}\sqrt{\frac{e_{u}+e_{v}-2}{e_{u}+e_{v}}}\), where \(e_{u}\) and \(e_{v}\) represent the eccentricities of \(u\) and \(v\) respectively. This work presents precise upper and lower bounds for the \(ABSC_{e}\) index
Zaryab Hussain, Muhammad Ahsan Binyamin
openaire   +1 more source

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

Modulating Interfacial Potential Gradients in Metal−Carbon Catalysts via Phase‐Engineering for Lithium–Sulfur Batteries

Advanced Functional Materials, EarlyView.
It is elucidated that phase engineering of cobalt modulates the interfacial potential gradients of cobalt–carbon electrocatalysts, enhancing the intrinsic electrocatalytic performance. Modulating the dominant crystalline phase of cobalt from a hexagonal close‐packed to a face‐centered cubic enriches the electron density of carbon shells, thereby ...
Ji‐Oh Kim, Hengquan Guo, Seonghee Kim, Jae Bin Park, Seongwook Chae, Taekyun Kwon, Seungjo Hong, Byeong Jin Kim, Guadalupe Arturo De la Garza Gonzalez, Minjoon Park, Jae Ho Kim, Oi Lun Li, Seung Geol Lee, Jin Hong Lee   +13 more
wiley   +1 more source

Trees with smallest atom-bond connectivity index

, 2012
Published
Gutman, Ivan, Furtula, Boris
openaire   +1 more source

Bio‐Inspired Molecular Events in Poly(Ionic Liquids)

Advanced Functional Materials, EarlyView.
Originating from dipolar and polar inter‐ and intra‐chain interactions of the building blocks, the topologies and morphologies of poly(ionic liquids) (PIL) govern their nano‐ and micro‐processibility. Modulating the interactions of cation‐anion pairs with aliphatic dipolar components enables the tunability of properties, facilitated by “bottom‐up ...
Jiahui Liu, Marek W. Urban
wiley   +1 more source

Minimum atom-bond sum-connectivity index of trees with a fixed order and/or number of pendent vertices

AIMS Mathematics
Let $ d_u $ be the degree of a vertex $ u $ of a graph $ G $. The atom-bond sum-connectivity (ABS) index of a graph $ G $ is the sum of the numbers $ (1-2(d_v+d_w)^{-1})^{1/2} $ over all edges $ vw $ of $ G $. This paper gives the characterization of the
Tariq A. Alraqad, Igor Ž. Milovanović, Hicham Saber , Akbar Ali, Jaya P. Mazorodze , Adel A. Attiya   +5 more
doaj   +1 more source

Dual‐Ligand Metal‐Organic Frameworks via In Situ Amidoxime Engineering for Selective Ion Separation

Advanced Functional Materials, EarlyView.
Inspired by microbial ion‐trapping mechanisms, a mild and universal strategy is developed to construct highly porous amidoxime‐functionalized MOFs. DFT calculations and molecular force measurements reveal that the dual‐ligand amidoxime configuration significantly strengthens Ga(III) affinity.
Zhifang Lv, Guixia Fan, Yun Bai, Guosheng Li, Peng Li, Wenjihao Hu, Yijun Cao, Wenshuai Yang, Daoguang Teng, Hongbo Zeng   +9 more
wiley   +1 more source