Close Menu
  • News
  • Medical
  • Technology
  • Nanomaterials
  • Research
  • Blog
    • Nasiol.com
  • Contact
    • Tech7685@gmail.com
What's Hot

2D hybrid material integrates graphene and silica glass for next-generation electronics

June 4, 2025

Zeolite nanopore model links crystal size to metal cluster migration and catalyst performance

June 4, 2025

Spontaneous symmetry breaking in electron systems proves elusive

June 3, 2025
Facebook X (Twitter) Instagram
Nanotech – Nanomaterials | Medical | Research | News Stories Updated Daily Nanotech – Nanomaterials | Medical | Research | News Stories Updated Daily
  • News
  • Medical
  • Technology
  • Nanomaterials
  • Research
  • Blog
    • Nasiol.com
  • Contact
    • Tech7685@gmail.com
Facebook X (Twitter) Instagram
Nanotech – Nanomaterials | Medical | Research | News Stories Updated Daily Nanotech – Nanomaterials | Medical | Research | News Stories Updated Daily
Home»News»New computational methodology to predict the complex formation of interesting nanostructures
News

New computational methodology to predict the complex formation of interesting nanostructures

August 26, 2024No Comments3 Mins Read
Facebook Twitter Pinterest Telegram LinkedIn Tumblr WhatsApp Email
New computational methodology to predict the complex formation of interesting nanostructures
Share
Facebook Twitter LinkedIn Pinterest Telegram Email
POMs. Credit: ICIQ

Researchers from the group of Prof. Carles Bo at the Institute of Chemical Research of Catalonia (ICIQ-CERCA) have described a computational methodology that simulates complex processes involving different chemical species and diverse conditions. These processes lead to the formation of nanostructures called polyoxometalates (POMs), with important applications in catalysis, energy storage, biology and medicine.

The work appears in Chemical Science.

“Our group has recently developed unique methods to study the chemistry of polyoxometalates in solution, their speciation and formation mechanisms. This research has the potential to discover the experimental conditions needed to make new materials,” explains Prof. Bo.

Versatile POMs

POMs are a distinguished family of nanostructures composed of transition metal atoms linked by oxygens, forming a wide range of well-defined structures of different sizes and shapes. These nanostructures are formed via self-assembly processes of simple metal oxides, depending on different factors such as pH, temperature, pressure, total metal concentration, ionic force, and the presence of reducing agents and counter-ions. The sum of all these conditions complicates the control of their synthesis.

Researchers can now predict the effect of these factors and the suitable conditions to produce one specific species of POM, employing statistical methods that facilitate the efficient and scalable processing of numerous speciation models and their corresponding systems of non-linear equations. This is important, as the first key application of these nanostructures is related to catalysis, where POMs are known to accelerate several important reactions. For example, using these simulations, it is possible to describe the suitable conditions that lead to the production of a species of POM responsible for catalyzing CO2 fixation.

New computational methodology to predict the complex formation of interesting nanostructures
Detail of the POM specie used in this work. Credit: ICIQ

POMSimulator

The group of Prof. Bo has presented an open–source software package named POMSimulator that helps clarify the formation mechanisms of POMs. By releasing a public version of the code, the researchers aim to provide a tool for complementing the discovery of novel POMs. Moreover, having an accessible version of the code means that other researchers can modify the source code based on their needs.

New computational methodology to predict the complex formation of interesting nanostructures
Credit: ICIQ

The methodology now presented is a more robust version of this POMSimulator that provides new and valuable insights into the distribution of species under different chemical conditions, thereby enriching the knowledge of complex systems speciation.

See also  Illuminating the unavoidable imperfections of nanostructures

“In the times of Big Data, machine learning and artificial intelligence, it is crucial to use every bit of information in our hands. Our work has taken POMSimulator to the next level of data usage,” said Jordi Buils, first author of this work and Ph.D. student in Prof. Bo’s group.

Provided by
Institute of Chemical Research of Catalonia



Source link

complex Computational formation interesting methodology Nanostructures predict
Share. Facebook Twitter Pinterest LinkedIn Tumblr Email

Related Posts

2D hybrid material integrates graphene and silica glass for next-generation electronics

June 4, 2025

Zeolite nanopore model links crystal size to metal cluster migration and catalyst performance

June 4, 2025

Spontaneous symmetry breaking in electron systems proves elusive

June 3, 2025

Improving Crop Tolerance to Drought and Heat Using Nanomaterials

June 3, 2025

Crystal-modifying agent piracetam provides scalable strategy for high-efficiency all-perovskite tandem solar cells

June 3, 2025

Phonon decoupling in naturally occurring mineral enables subatomic ferroelectric memory

June 2, 2025

Comments are closed.

Top Articles
News

Nanogate uses voltage to control molecule passage through tiny pore

Research

Advancing Pancreatic Cancer Treatment with Nanoparticle-Based Chemotherapy

News

The Key to Achieving Controlled Nanotube Fabrication

Editors Picks

2D hybrid material integrates graphene and silica glass for next-generation electronics

June 4, 2025

Zeolite nanopore model links crystal size to metal cluster migration and catalyst performance

June 4, 2025

Spontaneous symmetry breaking in electron systems proves elusive

June 3, 2025

Improving Crop Tolerance to Drought and Heat Using Nanomaterials

June 3, 2025
About Us
About Us

Your go-to source for the latest nanotechnology breakthroughs. Explore innovations, applications, and implications shaping the future at the molecular level. Stay informed, embrace the nano-revolution.

We're accepting new partnerships right now.

Facebook X (Twitter) Instagram Pinterest
Our Picks

Targeting TGFβ/ROCK2/YAP signaling axis to enhance drug delivery in fibrotic pancreatic cancer

June 6, 2024

What is a Carbon Nanotube? Structure and Properties

March 17, 2025

Microscopic ‘traffic jams’ solution inspires new insights into particle movement and drug delivery

May 2, 2025

Subscribe to Updates

Get the latest creative Nano Tech news from Elnano.com

© 2025 Elnano.com - All rights reserved.
  • Contact
  • Privacy Policy
  • Terms & Conditions

Type above and press Enter to search. Press Esc to cancel.

Cleantalk Pixel