Aurelia Butler

A DESY-led research team has been using high-intensity X-rays to observe a single catalyst nanoparticle at work. The experiment has revealed for the first time how the chemical composition of the surface of an individual nanoparticle changes under reaction conditions, making it more active. The team led by DESY’s Andreas Stierle is presenting its findings in the journal Science Advances. This study marks an important step towards a better understanding of real, industrial catalytic materials.
Catalysts are materials that promote chemical reactions without being consumed themselves. Today, catalysts are used in numerous industrial processes, from fertiliser production to manufacturing plastics. Because of this, catalysts are of huge economic importance. A very well-known example is the catalytic converter installed in the exhaust systems of cars. These contain precious metals such as platinum, rhodium and palladium, which allow highly toxic carbon monoxide (CO) to be converted into carbon dioxide (CO2) and reduce the amount of harmful nitrogen oxides (NOx).
“In spite of their widespread use and great importance, we are still ignorant of many important details of just how the various catalysts work,” explains Stierle, head of the DESY NanoLab. “That’s why we have long wanted to study real catalysts while in operation.” This is not easy, because in order to make the active surface as large as possible, catalysts are typically used in the form of tiny nanoparticles, and the changes that affect their activity occur on their surface.
Surface strain relates to chemical composition
In the framework of the EU project Nanoscience Foundries and Fine Analysis (NFFA), the team from DESY NanoLab has developed a technique for labelling individual nanoparticles and thereby identifying them in a sample. “For the study, we grew nanoparticles of a platinum-rhodium alloy on a substrate in the lab and labelled one specific particle,” says co-author Thomas Keller from DESY NanoLab and in charge of the project at DESY. “The diameter of the labelled particle is around 100 nanometres, and it is similar to the particles used in a car’s catalytic converter.” A nanometre is a millionth of a millimetre.
Using X-rays from the European Synchrotron Radiation Facility ESRF in Grenoble, France, the team was not only able to create a detailed image of the nanoparticle; it also measured the mechanical strain within its surface. “The surface strain is related to the surface composition, in particular the ratio of platinum to rhodium atoms,” explains co-author Philipp Pleßow from the Karlsruhe Institute of Technology (KIT), whose group computed strain as a function of surface composition. By comparing the observed and computed facet-dependent strain, conclusions can be drawn concerning the chemical composition at the particle surface. The different surfaces of a nanoparticle are called facets, just like the facets of a cut gemstone.
When the nanoparticle is grown, its surface consists mainly of platinum atoms, as this configuration is energetically favoured. However, the scientists studied the shape of the particle and its surface strain under different conditions, including the operating conditions of an automotive catalytic converter. To do this, they heated the particle to around 430 degrees Celsius and allowed carbon monoxide and oxygen molecules to pass over it. “Under these reaction conditions, the rhodium inside the particle becomes mobile and migrates to the surface because it interacts more strongly with oxygen than the platinum,” explains Pleßow. This is also predicted by theory.
“As a result, the surface strain and the shape of the particle change,” reports co-author Ivan Vartaniants, from DESY, whose team converted the X-ray diffraction data into three-dimensional spatial images. “A facet-dependent rhodium enrichment takes place, whereby additional corners and edges are formed.” The chemical composition of the surface, and the shape and size of the particles have a significant effect on their function and efficiency. However, scientists are only just beginning to understand exactly how these are connected and how to control the structure and composition of the nanoparticles. The X-rays allow researchers to detect changes of as little as 0.1 in a thousand in the strain, which in this experiment corresponds to a precision of about 0.0003 nanometres (0.3 picometres).
Crucial step towards analysing industrial catalyst maerials
“We can now, for the first time, observe the details of the structural changes in such catalyst nanoparticles while in operation,” says Stierle, Lead Scientist at DESY and professor for nanoscience at the University of Hamburg. “This is a major step forward and is helping us to understand an entire class of reactions that make use of alloy nanoparticles.” Scientists at KIT and DESY now want to explore this systematically at the new Collaborative Research Centre 1441, funded by the German Research Foundation (DFG) and entitled “Tracking the Active Sites in Heterogeneous Catalysis for Emission Control (TrackAct).”
“Our investigation is an important step towards analysing industrial catalytic materials,” Stierle points out. Until now, scientists have had to grow model systems in the laboratory in order to conduct such investigations. “In this study, we have gone to the limit of what can be done. With DESY’s planned X-ray microscope PETRA IV, we will be able to look at ten times smaller individual particles in real catalysts, and under reaction conditions.” More

Researchers from the University of Notre Dame and the University of Florida have developed a sensor that could diagnose a heart attack in less than 30 minutes, according to a study published in Lab on a Chip.
Currently, it takes health care professionals hours to diagnose a heart attack. Initial results from an echocardiogram can quickly show indications of heart disease, but to confirm a patient is having a heart attack, a blood sample and analysis is required. Those results can take up to eight hours.
“The current methods used to diagnose a heart attack are not only time intensive, but they also have to be applied within a certain window of time to get accurate results,” said Pinar Zorlutuna, the Sheehan Family Collegiate Professor of Engineering at Notre Dame and lead author of the paper. “Because our sensor targets a combination of miRNA, it can quickly diagnose more than just heart attacks without the timeline limitation.”
By targeting three distinct types of microRNA or miRNA, the newly developed sensor can distinguish between an acute heart attack and a reperfusion — the restoration of blood flow, or reperfusion injury, and requires less blood than traditional diagnostic methods to do so. The ability to differentiate between someone with inadequate blood supply to an organ and someone with a reperfusion injury is an unmet, clinical need that this sensor addresses.
“The technology developed for this sensor showcases the advantage of using miRNA compared to protein-based biomarkers, the traditional diagnostic target,” said Hsueh-Chia Chang, the Bayer Professor of Chemical and Biomolecular Engineering at Notre Dame and co-author of the paper. “Additionally, the portability and cost efficiency of this device demonstrates the potential for it to improve how heart attacks and related issues are diagnosed in clinical settings and in developing countries.”
A patent application has been filed for the sensor and the researchers are working with Notre Dame’s IDEA Center to potentially establish a startup company that would manufacture the device.
Bioengineers Chang and Zorlutuna are both affiliated with Notre Dame’s Institute for Precision Health. Additional co-authors from Notre Dame are Stuart Ryan Blood, Cameron DeShetler, Bradley Ellis, Xiang Ren, George Ronan and Satyajyoti Senapati. Co-authors from the University of Florida are David Anderson, Eileen Handberg, Keith March and Carl Pepine. The study was funded by the National Institutes of Health National Heart, Lung, and Blood Institute.
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Materials provided by University of Notre Dame. Original written by Brandi Wampler. Note: Content may be edited for style and length. More

Lead-based vacancy centers in diamonds that form after high-pressure and high-temperature treatment are ideal for quantum networks, find scientists. The modified crystal system could also find applications in spintronics and quantum sensors.
The color in a diamond comes from a defect, or “vacancy,” where there is a missing carbon atom in the crystal lattice. Vacancies have long been of interest to electronics researchers because they can be used as ‘quantum nodes’ or points that make up a quantum network for the transfer of data. One of the ways of introducing a defect into a diamond is by implanting it with other elements, like nitrogen, silicon, or tin.
In a recent study published in ACS Photonics, scientists from Japan demonstrate that lead-vacancy centers in diamond have the right properties to function as quantum nodes. “The use of a heavy group IV atom like lead is a simple strategy to realize superior spin properties at increased temperatures, but previous studies have not been consistent in determining the optical properties of lead-vacancy centers accurately,” says Associate Professor Takayuki Iwasaki of Tokyo Institute of Technology (Tokyo Tech), who led the study.
The three critical properties researchers look for in a potential quantum node are symmetry, spin coherence time, and zero phonon lines (ZPLs), or electronic transition lines that do not affect “phonons,” the quanta of crystal lattice vibrations. Symmetry provides insight into how to control spin (rotational velocity of subatomic particles like electrons), coherence refers to an identicalness in the wave nature of two particles, and ZPLs describe the optical quality of the crystal.
The researchers fabricated the lead-vacancies in diamond and then subjected the crystal to high pressure and high temperature. They then studied the lead vacancies using photoluminescence spectroscopy, a technique that allows you to read the optical properties and to estimate the spin properties. They found that the lead-vacancies had a type of dihedral symmetry, which is appropriate for the construction of quantum networks. They also found that the system showed a large “ground state splitting,” a property that contributes to the coherence of the system. Finally, they saw that the high-pressure high-temperature treatment they inflicted upon the crystals suppressed inhomogeneous distribution of ZPLs by recovering the damage done to the crystal lattice during the implantation process. A simple calculation showed that lead-vacancies had a long spin coherence time at a higher temperature (9K) than previous systems with silicon and tin vacancies.
“The simulation we presented in our study seems to suggest that the lead-vacancy center will likely be an essential system for creating a quantum light-matter interface — one of the key elements in the application of quantum networks,” concludes an optimistic Dr. Iwasaki.
This study paves the way for the future development of large (defective) diamond wafers and thin (defective) diamond films with reliable properties for quantum network applications.
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Materials provided by Tokyo Institute of Technology. Note: Content may be edited for style and length. More

Engineers and materials scientists studying superconducting quantum information bits (qubits) — a leading quantum computing material platform based on the frictionless flow of paired electrons — have collected clues hinting at the microscopic sources of qubit information loss. This loss is one of the major obstacles in realizing quantum computers capable of stringing together millions of qubits to run demanding computations. Such large-scale, fault-tolerant systems could simulate complicated molecules for drug development, accelerate the discovery of new materials for clean energy, and perform other tasks that would be impossible or take an impractical amount of time (millions of years) for today’s most powerful supercomputers.
An understanding of the nature of atomic-scale defects that contribute to qubit information loss is still largely lacking. The team helped bridge this gap between material properties and qubit performance by using state-of-the-art characterization capabilities at the Center for Functional Nanomaterials (CFN) and National Synchrotron Light Source II (NSLS-II), both U.S. Department of Energy (DOE) Office of Science User Facilities at Brookhaven National Laboratory. Their results pinpointed structural and surface chemistry defects in superconducting niobium qubits that may be causing loss.
“Superconducting qubits are a promising quantum computing platform because we can engineer their properties and make them using the same tools used to make regular computers,” said Anjali Premkumar, a fourth-year graduate student in the Houck Lab at Princeton University and first author on the Communications Materials paper describing the research. “However, they have shorter coherence times than other platforms.”
In other words, they can’t hold onto information very long before they lose it. Though coherence times have recently improved from microseconds to milliseconds for single qubits, these times significantly decrease when multiple qubits are strung together.
“Qubit coherence is limited by the quality of the superconductors and the oxides that will inevitably grow on them as the metal comes into contact with oxygen in the air,” continued Premkumar. “But, as qubit engineers, we haven’t characterized our materials in great depth. Here, for the first time, we collaborated with materials experts who can carefully look at the structure and chemistry of our materials with sophisticated tools.”
This collaboration was a “prequel” to the Co-design Center for Quantum Advantage (C2QA), one of five National Quantum Information Science Centers established in 2020 in support of the National Quantum Initiative. Led by Brookhaven Lab, C2QA brings together hardware and software engineers, physicists, materials scientists, theorists, and other experts across national labs, universities, and industry to resolve performance issues with quantum hardware and software. Through materials, devices, and software co-design efforts, the C2QA team seeks to understand and ultimately control material properties to extend coherence times, design devices to generate more robust qubits, optimize algorithms to target specific scientific applications, and develop error-correction solutions. More

Moving heat around where you want it to go — adding it to houses and hairdryers, removing it from car engines and refrigerators — is one of the great challenges of engineering.
All activity generates heat, because energy escapes from everything we do. But too much can wear out batteries and electronic components — like parts in an aging laptop that runs too hot to actually sit on your lap. If you can’t get rid of heat, you’ve got a problem.
Scientists at the University of Chicago have invented a new way to funnel heat around at the microscopic level: a thermal insulator made using an innovative technique. They stack ultra-thin layers of crystalline sheets on top of each other, but rotate each layer slightly, creating a material with atoms that are aligned in one direction but not in the other.
“Think of a partly-finished Rubik’s cube, with layers all rotated in random directions,” said Shi En Kim, a graduate student with the Pritzker School of Molecular Engineering who is the first author of the study. “What that means is that within each layer of the crystal, we still have an ordered lattice of atoms, but if you move to the neighboring layer, you have no idea where the next atoms will be relative to the previous layer — the atoms are completely messy along this direction.”
The result is a material that is extremely good at both containing heat and moving it, albeit in different directions — an unusual ability at the microscale, and one that could have very useful applications in electronics and other technology.
“The combination of excellent heat conductivity in one direction and excellent insulation in the other direction does not exist at all in nature,” said study lead author Jiwoong Park, professor of chemistry and molecular engineering at the University of Chicago. “We hope this could open up an entirely new direction for making novel materials.”
‘Just amazingly low’ More

Over the last year, handshakes have been replaced by fist or elbow bumps as a greeting. It shows that age-old social conventions can not only change, but do so suddenly. But how does this happen? Robotic engineers and marketing scientists from the University of Groningen joined forces to study this phenomenon, combining online experiments and statistical analysis into a mathematical model that shows how a committed minority can influence the majority to overturn long-standing practices. The results, which were published in Nature Communications on 29 September, may help to stimulate sustainable behaviour.
How does complex human behaviour take shape? This is studied in many ways, mostly relying on lots of data from observations and experiments. Ming Cao, Professor of Networks and Robotics at the Faculty of Science and Engineering at the University of Groningen, has studied complex group behaviour in robots by using agent-based simulations, among other methods. These agents follow a limited number of simple rules, often inspired by nature, which can lead to realistic complex behaviour. ‘Swarming birds or schools of fish are a good example’, Cao explains, ‘their movements can be reproduced by agents that follow a few simple rules on keeping a certain distance and heading in the same direction as their neighbours.’
Game
In parallel, the Marketing research group at the Faculty of Economics and Business, led by Dr Jan Willem Bolderdijk, Dr Hans Risselada, and Prof. Bob Fennis, has carried out various research projects into human behaviour, but not so many using these kinds of agent-based models. After a discussion with Cao and his colleagues, both groups saw possibilities for such models. Consequently, marketing PhD student Zan Mlakar and the two post-doc researchers in Cao’s group, Mengbin Ye and Lorenzo Zino, worked together creating an online experiment to gather data on the social diffusion of new behavioural trends.
They developed an online game in which 12 participants act as board members of a company that plans to launch one of two potential products. The participants have to vote on which product to launch. The catch is that the decision has to be taken unanimously. The participants cannot discuss their choice, they vote in 24 consecutive rounds, and they only see the distribution of votes at the end of each round. If unanimity is reached, the participants receive a reward.
Rules
Unknown to the participants, between two to four participants in the groups studied were computer bots, programmed to stick to their choice. ‘If the majority voted for product A in the first round, the bots were set to vote for B to try and overturn the majority’, explains Ye, who now works as Senior Research Fellow at Curtin University in Australia. Meanwhile, the votes of the human participants over all the rounds studied were registered. The vast majority of over 20 of these online game rounds resulted in a unanimous vote, with humans eventually siding with the bots to vote for product B. The results of all the games were then analysed to look for patterns in the voting decisions of the human participants.
Ye: ‘In quite few cases, we saw a delay before the votes started changing, but when they did, the group would reach unanimity in just a few voting rounds.’ The overall voting behaviour was able to be reproduced in an agent-based model with three simple rules: do as the majority does, stick to your previous decision, and follow the trend. ‘These rules are acknowledged in the literature as group coordination, inertia, and trend-seeking’, explains Ye. ‘They have been separately studied in human behaviour, but never combined in one model; this combination was critical in capturing social change.’
The results of the experiments and the simulations show that new conventions can suddenly arise when the influence of a committed minority reaches a threshold. A small group of ‘activists’ can therefore change social conventions. Cao: ‘However, this only happens if the minority is also able to influence others in their network. And this depends on the amount of risk-taking present among the other voters.’ The team are now interested in exploring what might enhance or inhibit this risk-taking behaviour. ‘We now have a solid framework and a model, which can be used to examine environmental factors that might make people have greater inertia, or be more susceptible to trends’, says Ye.
The three basic rules could help in steering the behaviour of large groups. ‘Of course, we can’t control people’, stresses Cao. ‘But we can provide guidelines, for example on how to nudge people to change their behaviour.’ This could be useful in the energy transition, or in getting people to reduce their meat consumption. ‘Governments already spend money to convince people to adopt more sustainable behaviour. Our research can help them to spend it in a more effective way.’
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