Cover Image

Unsaturated Dinitrogen Difluoride under Pressure: toward high-Energy Density Polymerized NF Chains

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Chen, Guo, Lin, Ling, Zhang, Chengfeng, Zhang, Jie, Frapper, Gilles, Wang, Xianlong
Format:	Preprint
Published:	2025
Subjects:	Materials Science Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Realized Stable BP-N at Ambient Pressure by Phosphorus Doping
by: Chen, Guo, et al.
Published: (2024)

Realizing stable zig-zag polymeric nitrogen chains in P-N compounds
by: zhang, Chengfeng, et al.
Published: (2025)

Edge Exposure as the Trigger for Structural Instability in LP-N and HLP-N
by: Chen, Guo, et al.
Published: (2025)

One-step Synthesis of Cubic Gauche Polymeric Nitrogen with High Yield Just by Heating
by: Wu, Liangfei, et al.
Published: (2024)

One Pot Synthesis of Cubic Gauche Polymeric Nitrogen
by: Chen, Runteng, et al.
Published: (2024)

Energy Window Augmented Plane Waves Approach to Density Functional Theory
by: Goldstein, Garry
Published: (2024)

Extending Nonlocal Kinetic Energy Density Functionals to Isolated Systems via a Density-Functional-Dependent Kernel
by: Sun, Liang, et al.
Published: (2025)

Random Phase Approximation Correlation Energy using Real-Space Density Functional Perturbation Theory
by: Zhang, Boqin, et al.
Published: (2025)

Systematically Improvable Numerical Atomic Orbital Basis Using Contracted Truncated Spherical Waves
by: Huang, Yike, et al.
Published: (2026)

Spin State versus Potential of Zero Charge as Predictors of Density-Dependent Oxygen Reduction in M-N-C Electrocatalysts
by: Zhang, Di, et al.
Published: (2026)

Noise Reduction of Stochastic Density Functional Theory for Metals
by: Vu, Jake P., et al.
Published: (2024)

MXene triggers high toughness, high strength and low hysteresis hydrogels for printed artificial tissue
by: Zhao, Chendong, et al.
Published: (2025)

Theory-Guided Discovery of Pressure-Induced Transitions in Fast-Ion Conductor BaSnF4
by: Turnbull, Robin, et al.
Published: (2026)

Integrating Graph Neural Networks and Many-Body Expansion Theory for Potential Energy Surfaces
by: Chen, Siqi, et al.
Published: (2024)

High-Pressure X-Ray Diffraction Study of Scheelite-type Perrhenates
by: Bura, Neha, et al.
Published: (2026)

High Pressure Suppression of Plasticity due to Over-Nucleation of Shear Strain
by: Hamilton, Brenden W., et al.
Published: (2024)

Fast and Scalable GPU-Accelerated Quantum Chemistry for Periodic Systems with Gaussian Orbitals: Implementation and Hybrid Density Functional Theory Calculations
by: Wang, Yuanheng, et al.
Published: (2024)

Atomistic understanding of hydrogen coverage on RuO2(110) surface under electrochemical conditions from ab initio statistical thermodynamics
by: Zhang, Lei, et al.
Published: (2024)

Unraveling Antagonistic Collision-Controlled Reactivity in Energetic Molecular Perovskites with Deep Potential Molecular Dynamics
by: Guo, Ming-Yu, et al.
Published: (2025)

How Semilocal Are Semilocal Density Functional Approximations? -Tackling Self-Interaction Error in One-Electron Systems
by: Ramasamy, Akilan, et al.
Published: (2024)

Improving XYG3-type Doubly Hybrid Approximation using Self-Interaction Corrected SCAN Density and Orbitals via the PZ-SIC Framework: the xDH@SCAN(SIC) Approach
by: Bi, Sheng, et al.
Published: (2024)

High-Pressure Monoclinic-Monoclinic Transition in Fergusonite-type HoNbO4
by: Garg, A. B., et al.
Published: (2019)

Superior Polymeric Gas Separation Membrane Designed by Explainable Graph Machine Learning
by: Xu, Jiaxin, et al.
Published: (2024)

Comparative high-pressure study on rare-earth entropy fluorite-type oxides
by: Botellaa, Pablo, et al.
Published: (2026)

Linear Scaling Calculation of Atomic Forces and Energies with Machine Learning Local Density Matrix
by: Xin, Zaizhou, et al.
Published: (2025)

A greener process for poly-L-lactic acid production and chemical upcycling under mild conditions using highly active alkali-metal based catalysts
by: Rentero, Christian, et al.
Published: (2025)

Helium Bubbles in Liquid Lead Lithium Solutions: Pressure Inhomogeneities at Interfaces and Non Ideal Mixture Effects
by: Alvarez-Galera, Edgar, et al.
Published: (2026)

Building high-energy silicon-containing batteries using off-the-shelf materials
by: Rodrigues, Marco-Tulio F., et al.
Published: (2025)

Acrylamide Conformers: A Revision of Published Density Functional Theory Studies
by: Scott, William, et al.
Published: (2026)

Unsymmetrical synthesis of benzimidazole-fused naphthalene imides with panchromatic absorption and redox activity
by: Lin, Guan-Ru, et al.
Published: (2025)

Formation of highly stable interfacial nitrogen gas hydrate overlayers under ambient conditions
by: Fang, Chung-Kai, et al.
Published: (2024)

A Molecular Perspective of Exciton Condensation from Particle-hole Reduced Density Matrices
by: Torres, Lillian I. Payne, et al.
Published: (2024)

Time Dependent Density Functional Theory calculations of the optical properties of charge-transfer complexes
by: Ramanjanappa, Satwik, et al.
Published: (2024)

A Simple and Scalable Kernel Density Approach for Reliable Uncertainty Quantification in Atomistic Machine Learning
by: Willimetz, Daniel, et al.
Published: (2025)

Approaching Periodic Systems in Ensemble Density Functional Theory via Finite One-Dimensional Models
by: Leano, Remi J., et al.
Published: (2024)

Prediction of NMR Parameters and geometry in 133Cs-containing compounds using Density Functional Theory
by: Manukovsky, Nurit, et al.
Published: (2024)

Orbital Transformers for Predicting Wavefunctions in Time-Dependent Density Functional Theory
by: Zhang, Xuan, et al.
Published: (2026)

Facile synthesis of micro-flower NiCo2O4 assembled by nanosheets efficient for electrocatalysis of water
by: Wang, Yujie, et al.
Published: (2024)

Constant-Potential Machine Learning Molecular Dynamics Simulations Reveal Potential-Regulated Cu Cluster Formation on MoS$_{2}$
by: Zhou, Jingwen, et al.
Published: (2024)

Predicting Methane Adsorption in Metal-Substituted MOFs: A Comparative Study between Density Functional Theory and Machine Learning
by: Aljamal, Karim, et al.
Published: (2025)