Results 1 to 10 of about 1,962 (179)

Density functional theory study of B‐ and Si‐doped carbons and their adsorption interactions with sulfur compounds

Carbon Energy
Understanding the adsorption interactions between carbon materials and sulfur compounds has far‐reaching impacts, in addition to their well‐known important role in energy storage and conversion, such as lithium‐ion batteries. In this paper, properties of
Peng Guo, Hong Zhang, Shuliang Dong, Libao An   +3 more
doaj   +1 more source

Enhanced paramagnetism of mesoscopic graphdiyne by doping with nitrogen

, 2017
The new two-dimensional graphitic material, graphdiyne, has attracted great interest recently due to the superior intrinsic semiconductor properties. Here we investigate the magnetism of pure graphdiyne material and find it demonstrating a remarkable ...
Sun, Huijuan, Zhang, Mingjia, Cui, Weiwei, Long, Yunze, Wang, Ning, Huang, Changshui, Huijuan Sun, Weiwei Cui, Wang, Xiaoxiong, Yunze Long, Lv, Qing, Xiaoxiong Wang, Qing Lv, Changshui Huang, Mingjia Zhang, Ning Wang   +15 more
core   +1 more source

2D Magnetic and Topological Quantum Materials and Devices for Ultralow Power Spintronics

Advanced Functional Materials, Volume 36, Issue 44, 1 June 2026.
2D magnets and topological quantum materials enable ultralow‐power spintronics by combining robust magnetic order with symmetry‐protected, Berry‐curvature‐driven transport. Fundamentals of 2D anisotropy and spin‐orbit‐coupling induced band inversion are linked to scalable growth and vdW stacking.
Brahmdutta Dixit, Yifei Yang, Shawn Li, Yu‐Chia Chen, Qi Jia, Jian‐Ping Wang   +5 more
wiley   +1 more source

Coupled Chemical and Mechanical Control of the Pore Size in Carbon Honeycomb Membranes for Water Desalination

Advanced Materials Interfaces, Volume 13, Issue 11, 9 June 2026.
ABSTRACT The advancement of 3D carbon nanostructures for next‐generation desalination membranes is hindered by limited control of the pore size to ensure effective salt rejection. Chemical functionalization and mechanical modification are known approaches to address the problem, while the combined effect of the two approaches remains unexplored.
Aleksandr S. Voronin, Duc Tam Ho, Udo Schwingenschlögl   +2 more
wiley   +1 more source

Exploring the impact of stress on the electronic structure and optical properties of graphdiyne nanoribbons for advanced optoelectronic applications

Scientific Reports
Graphdiyne (GDY), a two-dimensional carbon material with sp- and sp2-hybridization, is recognized for its unique electronic properties and well-dispersed porosity. Its versatility has led to its use in a variety of applications.
Qiaohan Liu, Naixing Feng, Yi Zou, Chuanqiang Fan, Jingang Wang   +4 more
doaj   +1 more source

Bismuth–Carbon Anodes for Sodium‐Ion Batteries: Mechanistic Challenges and Future Design Directions

Batteries &Supercaps, Volume 9, Issue 6, June 2026.
This review summarizes the fundamental limitations of Bi anodes in sodium‐ion batteries, highlighting coupled structural, kinetic, and interfacial challenges arising from Na–Bi alloying. It outlines how Bi/C design strategies, electrolyte engineering, nanostructuring, and carbon frameworks enable adaptive, high‐performance anodes toward practical ...
Minghao Zhang, Justin Prabowo, Li Wei, Yuan Chen   +3 more
wiley   +1 more source

Computational Design of Zinc Single‐Atom Catalysts in Lantern Organic Framework

Journal of Computational Chemistry, Volume 47, Issue 14, 30 May 2026.
We present a DFT study of zinc‐embedded Lantern Organic Frameworks (Zn@LOFs), revealing that sp3‐bridged structures favor thermodynamically stable endo‐configuration, while sp‐bridged structures enable kinetically trapped exo‐configuration, both potentially suppressing ZnZn agglomeration. Beyond structural stability, Zn@LOFs exhibit tunable electronic
Lam H. Nguyen, Thanh N. Truong
wiley   +1 more source

Self‐Adaptive Graphdiyne/Sn Interface for High‐Performance Sodium Storage

Advanced Science
Efficiently reconciling the substantial volume strain with maintaining the stabilities of both interfacial protection and three‐dimensional (3D) conductive networks is a scientific and technical challenge in developing tin‐based anodes for sodium ion ...
Shujin Cheng, Zicheng Zuo, Yuliang Li
doaj   +1 more source

First-Principles Study on New Photocatalytic Materials Graphdiyne-TiO2

, 2013
We study mechanism for combinet graphdiyne and graphene on TiO2 which can improve the photocatalytic performance of TiO2 by density functional theory with dispersion corrections (DFT-D) methods.
Liu Yuanyuan
core   +1 more source

An Ultrahigh‐Rectification‐Ratio WSe2 Homojunction Defined by High‐Efficiency Charge Trapping Effect

Advanced Electronic Materials
Although 2D material van der Waals heterostructures (vdWHs) exhibit many novel properties and applications, 2D homojunctions have unique advantages in interface lattice matching, band continuity, and charge transfer efficiency. However, the rectification
Lihua Wang, Xiaoyu He, Xiankun Zhang, Xiaofu Wei, Kuanglei Chen, Li Gao, Huihui Yu, Mengyu Hong, Zheng Zhang, Yue Zhang   +9 more
doaj   +1 more source