Photooxidation triggered ultralong afterglow in carbon nanodots

GS Zheng, CL Shen, CY Niu, Q Lou, TC Jiang… - Nature …, 2024 - nature.com
It remains a challenge to obtain biocompatible afterglow materials with long emission
wavelengths, durable lifetimes, and good water solubility. Herein we develop a …

Synthesis of a magnetic π-extended carbon nanosolenoid with Riemann surfaces

J Wang, Y Zhu, G Zhuang, Y Wu, S Wang… - Nature …, 2022 - nature.com
Riemann surfaces are deformed versions of the complex plane in mathematics. Locally they
look like patches of the complex plane, but globally, the topology may deviate from a plane …

Extension and quantification of the Fries rule and its connection to aromaticity: Large-scale validation by wave-function-based resonance analysis

Y Wang - Journal of Chemical Information and Modeling, 2021 - ACS Publications
The Fries rule is a simple, intuitive tool to predict the most dominant Kekulé structures of
polycyclic aromatic hydrocarbons (PAHs), which is valuable for understanding the structure …

Exploring exohedral functionalization of fullerene with automation and Neural Network Potential

M Liu, Y Han, Y Cheng, X Zhao, H Zheng - Carbon, 2023 - Elsevier
Exohedral functionalized fullerenes have shown superior physicochemical properties over
pristine carbon cages. The functional groups could significantly improve solubility, electron …

IR spectroscopic analysis of heterohedral metallofullerenes

AA El-Barbary - Diamond and Related Materials, 2023 - Elsevier
The infrared spectroscopies (IR) and vibrational modes of ten heterohedral
metallofullerenes C 19 M (M= Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu and Zn) are theoretically …

Transition metals doped fullerenes: structures–NLO property relationships

S Liu, FW Gao, HL Xu, ZM Su - Molecular Physics, 2019 - Taylor & Francis
In this work, three complexes C59Co, C59Rh and C59Ir are devised by the transition metals
(Co, Rh and Ir) doped into fullerenes to study the structure–property relationships of the …

Probing the structure of giant fullerenes by high resolution trapped ion mobility spectrometry

P Weis, F Hennrich, R Fischer, EK Schneider… - Physical Chemistry …, 2019 - pubs.rsc.org
We present high-resolution trapped ion mobility spectrometry (TIMS) measurements for
fullerene ions in molecular nitrogen. Three different charge states were studied …

Electrochemical properties of lithium metal doped C60 fullerene for battery applications

N Kosar, M Asgar, T Mahmood, K Ayub, H Sajid… - Materials Science in …, 2024 - Elsevier
The development of anode materials with an optimum cell voltage and better stability is an
important challenge for high-performance Li-ion batteries. In this study, we have investigated …

Hydrogenated polycyclic aromatic hydrocarbons: isomerism and aromaticity

P Pla, Y Wang, F Martín, M Alcamí - Physical Chemistry Chemical …, 2020 - pubs.rsc.org
A simple model, based on connectivity (adjacency) matrices, is introduced to study the
relative stability of hydrogenated polycyclic aromatic hydrocarbons (HPAHs). The model …

Topology-based approach to predict relative stabilities of charged and functionalized fullerenes

Y Wang, S Diaz-Tendero, M Alcami… - Journal of chemical …, 2018 - ACS Publications
Understanding the relationship between structure and stability is one of the fundamental
aspects of fullerene chemistry, as the number of possible cage isomers is very large and …