Oppenheimer's Impact on Quantum Chemistry: The Born-Oppenheimer Approximation

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1. Oppenheimer's Impact on Quantum Chemistry: The Born-Oppenheimer Approximation

 230830 1 oppenheimer

The release of the film "Oppenheimer" has reignited interest in J. Robert Oppenheimer, renowned for his role in creating the atomic bomb.

Yet, his earlier contributions to quantum mechanics have profoundly shaped modern quantum chemistry.

His groundbreaking work on the Born-Oppenheimer approximation simplified quantum-level molecule descriptions.

In this approximation, atomic nuclei are considered stationary compared to faster-moving electrons, streamlining calculations.

This approach guides the creation of "ball-and-stick" models commonly used to visualize molecules.

Oppenheimer's insights also reveal how electrons drive chemical reactions, vital to chemistry's essence.

Computational quantum chemistry has since flourished with the Born-Oppenheimer approximation as its cornerstone.

While not flawless, this framework continues to revolutionize chemical research, with potential further enhancements through quantum computers.

Source - Before he developed the atomic bomb, J. Robert Oppenheimer’s early work revolutionized the field of quantum chemistry – and his theory is still used today


2. Water-Based Batteries: Safe and Viable for Grid-Scale Energy Storage

 230830 2 the role of energy density

The demand for energy storage to balance intermittent solar production has led to the installation of large lithium-ion batteries in power grids.

Grid-scale battery energy storage systems (BESS) help stabilize energy flow, but safety and location are crucial considerations.

While lithium-ion batteries are safe on a small scale, the risk increases with megawatt-scale deployments due to the high number of batteries.

Water-based electrolytes in redox flow batteries offer a safe alternative for grid-scale storage.

Even though their energy density is lower, their nonflammable nature allows them to be placed in densely populated areas.

A study finds that for grid-scale installations, the energy density at the cell level matters less than factors like lifetime, scalability, and cost.

As safety becomes paramount, research should shift focus from energy density to other critical aspects for large-scale energy solutions.

Source - The role of energy density for grid-scale batteries


3. Breakthrough in Solid-State Air Batteries: Organic Electrodes for Safer and Efficient Energy Storage

 230830 3 solid rechargeable air battery

A novel all-solid-state rechargeable air battery (SSAB) has been developed using a dihydroxy-benzoquinone-based organic negative electrode and a Nafion polymer electrolyte.

Unlike traditional metal-based batteries, this SSAB employs redox-active organic molecules, mitigating problems like dendrite formation.

The researchers addressed safety concerns posed by liquid electrolytes by using a solid proton-conductive polymer.

The study reveals the SSAB's stability, efficient charge-discharge performance, and cyclability.

The switch from a redox-active molecule to its polymeric form greatly improved the battery's discharge capacity.

This innovation has potential applications in prolonging the lifespan of electronic devices and contributes to a carbon-free energy future.

Source - Japanese Scientists Develop Novel, Completely Solid, Rechargeable Air Battery


4. Harnessing Atmospheric Humidity for Continuous Electricity Generation: POM Nanomaterial Breakthrough

 230830 4 team creates power gen

Researchers have developed a groundbreaking power generator that captures atmospheric humidity to create continuous electrical signals.

This innovation utilizes polyoxometalates (POMs), nano-sized materials with unique properties.

POMs form the basis of the humidity generator, collecting humidity in microporous structures and producing stable voltage even in various humidity levels.

This marks a significant advance in utilizing low-value energy in natural environments.

The generator's potential applications include humidity detection, environmental monitoring, integration with appliances for uninterrupted power supply, and meeting electricity needs in various settings.

The breakthrough offers a new avenue for sustainable energy utilization and highlights POMs as promising materials for atmospheric energy conversion.

Source - Team creates power generator that runs on natural atmospheric humidity


5. New Light-Based Method Enhances Chirality Detection in Molecules

 230830 5 chirality

Chiral molecules, like left and right hands, have been challenging to detect accurately due to the limitations of current light-based methods.

Researchers at Imperial College London, along with collaborators, have developed a novel technique using lasers to detect molecular chirality.

Instead of creating a helix in space, they've made light behave as a helix in time, inducing chiral electronic currents within molecules.

This results in one version of the molecule emitting bright light while the other remains dark, significantly improving detection capabilities.

The technique could allow non-destructive imaging of molecular chirality and has potential applications in fields like pharmaceuticals.

The team plans to test the approach using femtosecond laser facilities to image and manipulate chiral molecules.

Source - A new way to identify chiral molecules with light could vastly improve detection efficiency


6. Innovative Electrochemical Method for Removing PFAS Contaminants

 230830 6 sustainable method to remove forever chemicals

PFAS, versatile chemicals found in products like non-stick coatings and firefighting foam, pose environmental and health risks due to their persistence.

Detecting and removing them is complex, and traditional methods often involve harsh chemicals or incineration.

Researchers, led by Professor Markus Gallei and Professor Xiao Su, have developed an electrochemical method using metal-containing polymers called metallocenes.

These polymers, when applied to electrodes, efficiently capture PFAS from water.

By applying voltage, the polymers can switch their electrical state, releasing the PFAS molecules for destruction.

This innovative method allows repeated use of the polymers, in contrast to disposable filters, making it a promising solution for removing PFAS contaminants from water sources.

The researchers are working on upscaling the method for practical environmental applications.

Source - Chemists Develop Sustainable Method To Remove “Forever Chemicals” From Water


7. Rising CO2 Levels Could Approach Extinction-Level Threats, New Study Suggests

 230830 7 co2 level approach extinction level threats

Atmospheric carbon dioxide (CO2) concentrations could reach levels linked to mass extinctions observed over millions of years if emissions from burning fossil fuels and land conversion for agriculture aren't reduced.

By 2100, CO2 levels could double to 800 parts per million by volume (ppmv), compared to this year's roughly 421 ppmv.

This concentration resembles levels associated with marine biodiversity crashes in Earth's history.

The study reveals that CO2 concentrations and biodiversity loss are correlated, with elevated CO2 leading to ocean acidification and biodiversity decline.

Researchers suggest that humanity has already caused significant biodiversity losses due to CO2 emissions.

Rising CO2 levels are linked to ocean acidification, which harms species' ability to build shells and skeletons, contributing to extinction risks.

The study warns that the current rate of CO2 increase could lead to a 10% loss in biodiversity over the coming decades.

Source - 19 'mass extinctions' had CO2 levels we're now veering toward, study warns


8. Mixing Soft and Hard Boron Nitride Creates Unexpected Optical and Thermal Properties

 230830 8 boron nitride based na

Researchers from Rice University have combined hexagonal boron nitride (soft) and cubic boron nitride (hard) to create a nanocomposite with unique optical and thermal properties.

The resulting material displayed low thermal conductivity, making it suitable as a heat-insulating material for electronic devices.

The composite also exhibited unexpected optical properties, with a significant increase in second harmonic generation after heating.

The researchers found that the cubic boron nitride grains in the composite grew larger, contrary to theoretical predictions, suggesting the debate about the most stable boron nitride phase remains unresolved.

Additionally, when subjected to spark plasma sintering, the composite transformed into hexagonal boron nitride, leading to higher-quality material.

Source - Boron nitride-based nanocomposites have unexpected properties, researchers discover


9. Enzymes Found in Living Organisms Exhibit Soft-Robotic Properties

 230830 9 discovery in nanomachine

Researchers from the Hebrew University of Jerusalem and Shiv Nadar University have conducted simulations revealing that Cytochromes P450 (CYP450s), enzymes found in living organisms, possess unique soft-robotic properties.

These enzymes can sense and respond to stimuli, making them nanomachines with a fourth dimension in "living matters."

The researchers found that during the catalytic cycle of CYP450s, the enzyme's structure acts as a sensor and a soft robot.

It interacts with substrates using weak interactions, generating movement that leads to the oxidation of various substances.

This discovery opens up new avenues in soft-robotics research and has potential implications for fields such as artificial intelligence and self-evolving materials synthesis.

The researchers suggest that integrating soft-robotic language and machine programming could advance the development of 4D materials and soft-robotics.

Source - Discovering nanomachines within living organisms: Cytochromes P450 unleashed as living soft robots


10. DNA and Glass Fusion Creates Ultra-Strong, Lightweight Material

 230830 10 dna and glass material

Researchers have developed a novel material by fusing DNA and glass, resulting in a glass nanolattice structure that is stronger and lighter than steel.

This innovation utilizes self-assembling DNA to form a chemical skeleton, encased in an ultra-thin glass-like material.

Despite glass's fragility, flaws that cause shattering can be minimized at a small scale, leading to a glass nanolattice structure that is both strong and robust.

The material is claimed to be four times stronger than steel while having five times lower density.

Although promising, researchers note that further research and scaling up are needed before this technology can be employed practically.

The next step is to explore using stronger ceramics instead of glass in the same architecture.

Source - Scientists Use DNA To Construct Material Lighter And Stronger Than Steel

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