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Custom Synthesis
- 2D Material Customization Service
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2D Solution Customization Service
- Nb2C Solution Customization
- Black Phosphorus Solution Customization
- Tungsten Diselenide Solution Customization
- Molybdenum Diselenide Solution Customization
- Tungsten Disulfide Solution Customization
- Molybdenum Disulfide Solution Customization
- h-BN Solution Customization
- Graphene Oxide Solution Customization
- Germanium(II) Selenide Solution Customization
- Germanium(II) Sulfide Solution Customization
- Hafnium Disulfide Solution Customization
- Hafnium Diselenide Solution Customization
- Manganese Dioxide Solution Customization
- Tellurene Solution Customization
- Vanadium Carbide Solution Customization
- Titanium Carbide (Ti2C) Solution Customization
- Molybdenum Tungsten Disulfide Solution Customization
- Molybdenum Ditelluride Solution Customization
- Niobium Disulfide Solution Customization
- Rhenium Disulfide Solution Customization
- Rhenium Diselenide Solution Customization
- Tin Diselenide Solution Customization
- Titanium Disulfide Solution Customization
- Titanium Diselenide Solution Customization
- Titanium Carbide (Ti3C2) Solution Customization
- Tungsten Ditelluride Solution Customization
- Zirconium Disulfide Solution Customization
- Zirconium Diselenide Solution Customization
- 2D Material Layer Transfer Service
- 2D Material Heterojunction Customization Service
- 2D Crystals Custom Growth Service
- 2D Material Modification Services
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2D Material Testing Services
- 2D Material Surface Characterization
- 2D Material Structure Characterization
- 2D Materials Electrical Characterization Research
- Thermal Test of 2D Materials
- 2D Materials Optoelectronics Research
- Mechanical Testing of 2D Materials
- 2D Magnetic Materials Characterization
- CHNSO Elemental Analysis for 2D Materials
- Atomic Force Microscope for 2D Materials
- Transmission Electron Microscope for 2D Materials
- Scanning Electron Microscope for 2D Materials
- Fourier Transform Infrared Spectroscopy for 2D Materials
- Nuclear Magnetic Resonance Spectroscopy for 2D Materials
- X-Ray Photoelectron Spectroscopy for 2D Materials
- X-ray Diffraction for 2D Materials
- Raman Scattering for 2D Materials
- Scanning Probe Techniques for 2D Materials
- X-Ray Fluorescence for 2D Materials
- BET Specific Surface Area Analysis for 2D Materials
- ICP-OES and ICP-MS Analysis for 2D Materials
- Auger Electron Spectroscopy for 2D Materials
- Photoluminescence Spectroscopy for 2D Materials
- Surface Profiler for 2D Materials
- 2D Material Simulation Computing Service
- Thin Film Deposition Services
2D Material Simulation Computing Service
Alfa Chemistry specializes in offering researchers cost-effective and mature two-dimensional (2D) material simulation computer services. We are particularly interested in 2D material catalysis and novel energy sectors. We provide 2D material science customers with comprehensive solutions in data modeling and computational simulation, property prediction, and mechanism exploration by combining first-principles calculations and molecular dynamics methods with LAMMPS, CP2K, Gaussian, VASP, and other simulation software. It offers solutions and services to help companies improve their management, decision-making, and innovation capabilities in areas such as R&D and modification of new materials, design, and preparation of high-efficiency nanocatalysts, and it encourages the growth of chemistry and materials disciplines. Please contact us as soon as possible so that we can help you with your 2D material testing!
2D Materials Computational Solutions
Alfa Chemistry offers a total solution for 2D material computational simulations including but not limited to the following.
Geometric Properties | Structural parameters (bond lengths, bond angles, lattice parameters, atomic positions), stable configurations, etc. |
Electronic Properties | Energy band structure, the electron density of states, charge density distribution, electron localization function, electron density difference, carrier mobility, HOMO/LUMO, etc. |
Optical Properties | Dielectric constant, absorption curve, refractive index, FDTD simulation, etc. |
Surface Properties | Surface adsorption energy, surface energy, surface reconstruction, defects, and other structures, STM simulations, reaction mechanisms, etc. |
Mechanical Properties | Modulus of elasticity, elastic constants, hydrodynamic calculations, etc. |
Other Properties | Lattice dynamics properties (phonon spectra), excited states of material systems (GW quasiparticle corrections). |
Molecular Dynamics Simulation | Interface properties (diffusion coefficient, viscosity coefficient, etc.), infrared spectrum, power spectrum, etc. |
Alfa Chemistry can also do quantum chemical calculation methods such as HF calculations, density functional theory DFT calculations, and so on.
Fig 1. The process of graphene nucleation and growth on Cu(111) surface simulated by classic MD. (Zhang L, et al. 2017)
You weren't able to locate what you were looking for? Because of our diverse skill set, we can provide one-of-a-kind solutions. Please contact us to discuss your requirements.
Why Us
To anticipate, evaluate, and study the structure, characteristics, and behavior of materials, Alfa Chemistry employs simulation software. First-principles quantum mechanical calculations, energy minimization, molecular dynamics, Monte Carlo, kinetic mean-field density generalized theory, and finite element approaches are among the techniques we employ. We've looked at self-assembled systems, superconductors, semiconductors, shape memory alloys, intermetallic compounds, and certain metals, to name a few.
Alfa Chemistry has currently provided several high-quality solutions to over a hundred materials companies, university groups, and laboratories, involving over a hundred materials theoretical computational simulations of multiphase catalysis, lithium-sulfur cell adsorption at various activation sites, functional nanomaterials energy band structure, adsorption energy, bond length, and charge density.
Reference
- Gao J, et al. (2017). "Computational Understanding of the Growth of 2D Materials." Advanced Theory and Simulations. 1(11): 1800085.
Our Advantages

High Quality

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Hassle-Free

Time-Effective
Alfa Chemistry provides cost effective, high quality and hassle free services to our clients worldwide. We guarantee on-time delivery of our results.
If you have any questions at any time during this process, please contact us. We will do our best to meet your needs.