Photooxidation triggered ultralong afterglow in carbon nanodots
It remains a challenge to obtain biocompatible afterglow materials with long emission
wavelengths, durable lifetimes, and good water solubility. Herein we develop a …
wavelengths, durable lifetimes, and good water solubility. Herein we develop a …
Synthesis of a magnetic π-extended carbon nanosolenoid with Riemann surfaces
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 …
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 …
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 …
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 …
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 …
(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 …
fullerene ions in molecular nitrogen. Three different charge states were studied …
Electrochemical properties of lithium metal doped C60 fullerene for battery applications
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 …
important challenge for high-performance Li-ion batteries. In this study, we have investigated …
Hydrogenated polycyclic aromatic hydrocarbons: isomerism and aromaticity
A simple model, based on connectivity (adjacency) matrices, is introduced to study the
relative stability of hydrogenated polycyclic aromatic hydrocarbons (HPAHs). The model …
relative stability of hydrogenated polycyclic aromatic hydrocarbons (HPAHs). The model …
Topology-based approach to predict relative stabilities of charged and functionalized fullerenes
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 …
aspects of fullerene chemistry, as the number of possible cage isomers is very large and …