Theoretical Calculations and Experiments on the Thermal Properties of Fluorinated Graphene and Its Effects on the Thermal Decomposition of Nitrate Esters

Graphite fluoride as a new oxidizer to construct nano-Al based reactive material and its combustion performance

(2021) Jun Wang et al.   COMBUSTION AND FLAME

The surface activation of boron to improve ignition and combustion characteristic

(2021) Jian Wanga et al.   Defence Technology

Recent Advances in Fluorinated Graphene from Synthesis to Applications: Critical Review on Functional Chemistry and Structure Engineering

(2021) Xinyu Chen et al.   ADVANCED MATERIALS

Laser-induced energetic material ignition with various fluorinated graphenes: Theoretical and experimental studies

(2021) Pengfei Tang et al.   APPLIED SURFACE SCIENCE

Study on the reaction mechanism of CH2O + NO2 transformed by PbO/SnO in double-base propellants through theoretical calculation and experiment

(2021) Saiqin Meng et al.   COMBUSTION AND FLAME

Comment on “18 and 12 – Member carbon rings (cyclo[n]carbons) – A density functional study”

(2021) Tian Lu et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

Fluorinated graphene improving thermal reaction and combustion characteristics of nano-aluminum powder

(2021) Baozhong Zhu et al.   THERMOCHIMICA ACTA

Synergistically Chemical and Thermal Coupling between Graphene Oxide and Graphene Fluoride for Enhancing Aluminum Combustion

(2020) Yue Jiang et al.   ACS Applied Materials & Interfaces

Synthesis, characterization and nanoenergetic utilizations of fluorine, oxygen co-functionalized graphene by one-step XeF2 exposure

(2020) Anqi Wang et al.   COMBUSTION AND FLAME

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

(2020) Thomas D. Kühne et al.   JOURNAL OF CHEMICAL PHYSICS

The ORCA quantum chemistry program package

(2020) Frank Neese et al.   JOURNAL OF CHEMICAL PHYSICS

Hypergolic combustion of boron based propellants

(2020) Manisha B. Padwal et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE

Vibrational Spectra and Molecular Vibrational Behaviors of All‐Carboatomic Rings, cyclo[18]carbon and Its Analogues

(2020) Zeyu Liu et al.   Chemistry-An Asian Journal

Laser-ablation-assisted SF6 decomposition for extensive and controlled fluorination of graphene

(2019) Jan Plšek et al.   CARBON

Effect of resonance dipole-dipole interaction on the infrared spectra of adsorbed CF 4 . Experimental investigation and theoretical modeling

(2018) Anna N. Dobrotvorskaia et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

Fluorinated graphene provides long lasting ice inhibition in high humidity

(2018) Naureen Akhtar et al.   CARBON

Nanothermites: A short Review. Factsheet for Experimenters, Present and Future Challenges

(2018) Marc Comet et al.   PROPELLANTS EXPLOSIVES PYROTECHNICS

A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z = 1–86)

(2017) Stefan Grimme et al.   Journal of Chemical Theory and Computation

Characterization of the thermal/thermal oxidative stability of fluorinated graphene with various structures

(2017) Wenchuan Lai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Software update: the ORCA program system, version 4.0

(2017) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation

(2016) Narbe Mardirossian et al.   JOURNAL OF CHEMICAL PHYSICS

Two-Dimensional Fluorinated Graphene: Synthesis, Structures, Properties and Applications

(2016) Wei Feng et al.   Advanced Science

Solid propellants: AP/HTPB composite propellants

(2015) Shalini Chaturvedi et al.   Arabian Journal of Chemistry

High-Yield Production of Highly Fluorinated Graphene by Direct Heating Fluorination of Graphene-oxide

(2013) Xu Wang et al.   ACS Applied Materials & Interfaces

Influences of particle size and content of RDX on burning characteristics of RDX-based propellant

(2013) Tomoki Naya et al.   AEROSPACE SCIENCE AND TECHNOLOGY

Band Gaps and Optical Spectra of Chlorographene, Fluorographene and Graphane from G0W0, GW0 and GW Calculations on Top of PBE and HSE06 Orbitals

(2013) František Karlický et al.   Journal of Chemical Theory and Computation

Influences of particle size and content of HMX on burning characteristics of HMX-based propellant

(2012) Tomoki Naya et al.   AEROSPACE SCIENCE AND TECHNOLOGY

Synthesis of fluorinated graphene with tunable degree of fluorination

(2012) Zhaofeng Wang et al.   CARBON

Spin-half paramagnetism in graphene induced by point defects

(2012) R. R. Nair et al.   Nature Physics

Performance of the van der Waals Density Functional VV10 and (hybrid)GGA Variants for Thermochemistry and Noncovalent Interactions

(2011) Waldemar Hujo et al.   Journal of Chemical Theory and Computation

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Nonlocal van der Waals density functional: The simpler the better

(2010) Oleg A. Vydrov et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Graphene Fluoride: A Stable Stoichiometric Graphene Derivative and its Chemical Conversion to Graphene

(2010) Radek Zbořil et al.   Small

Fluorographene: A Two-Dimensional Counterpart of Teflon

(2010) Rahul R. Nair et al.   Small

Comparison of two efficient approximate Hartee–Fock approaches

(2009) Simone Kossmann et al.   CHEMICAL PHYSICS LETTERS

Metal particle combustion and nanotechnology

(2009) Richard A. Yetter et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE