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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The classical-to-quantum crossover in the strain-induced ferroelectric transition in SrTiO3 membranes

Mechanical strain presents an effective control over symmetry-breaking phase transitions. In quantum paralelectric SrTiO3, strain can induce ferroelectric order via modification of the local Ti potential energy landscape. However, brittle bulk materials can only withstand limited strain range (~0.1%). Taking advantage of nanoscopically-thin freestanding membranes, we demonstrate an in- situ strain-induced reversible ferroelectric transition in freestanding SrTiO3 membranes. We measure the ferroelectric order by detecting the local anisotropy of the Ti 3d orbital signature using x-ray linear dichroism at the Ti-K pre-edge, while the strain is determined by x-ray diffraction. With reduced thickness, the SrTiO3 membranes remain elastic with >1% tensile strain cycles. A robust displacive ferroelectricity appears beyond a temperature-dependent critical strain. Interestingly, we discover a crossover from a classical ferroelectric transition to a quantum regime at low temperatures, which enhances strain-induced ferroelectricity. Our results offer new opportunities to strain engineer functional properties in low dimensional quantum materials and provide new insights into the role of ferroelectric fluctuations in quantum paraelectric SrTiO3.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Synthesis, engineering, and theory of 2D van der Waals magnets

The recent discovery of magnetism in monolayers of two-dimensional van der Waals materials has opened new venues in materials science and condensed matter physics. Until recently, two-dimensional magnetism remained elusive: Spontaneous magnetic order is a routine instance in three-dimensional materials but it is not a priori guaranteed in the two-dimensional world. Since the 2016 discovery of antiferromagnetism in monolayer FePS 3 by two groups and the subsequent demonstration of ferromagnetic order in monolayer CrI 3 and bilayer Cr 2 Ge 2 Te 6 , the field changed dramatically. Within several years of scientific discoveries focused on 2D magnets, novel opportunities have opened up in the field of spintronics, namely spin pumping devices, spin transfer torque, and tunneling. In this review, we describe the state of the art of the nascent field of magnetic two-dimensional materials focusing on synthesis, engineering, and theory aspects. Finally, we also discuss challenges and some of the many different promising directions for future work, highlighting unique applications that may extend even to other realms, including sensing and data storage.

2D materials↗
DOE OSTI2024

Study of phase decoherence in GeSn (8%) through measurements of the weak antilocalization effect

Alloying germanium with tin offers a means to modulate germanium's electronic structure, enabling a greater degree of control over quantum properties such as the retention of the phase or spin of the electron wave. However, the extent to which the presence of high dopant concentrations in GeSn alters these quantum behaviors is poorly understood. Here, we investigate the role of dopant concentrations on phase coherence through measurements of the weak antilocalization (WAL) effect at temperatures between 30 mK and 10 K in p-GeSn (8%) thin films, which were doped to a series of carrier densities on the order of 10 12 cm –2 . Phase coherence and spin–orbit lengths were extracted from the magnetoconductivities using the 2D Hikami–Larkin–Nagaoka model. Phase coherence lengths peaked at 577, 593, and 737 nm for the low-, mid-, and high-density samples, while upper limits on the spin–orbit lengths of less than 25 nm were relatively independent of carrier density and temperature. The phase coherence lengths increased as the temperature decreased but changed only minimally with carrier density, contrary to common models of temperature-dependent inelastic scattering. Saturation of the phase coherence lengths occurred below 600 mK. Based on these findings, intrinsically generated inelastic scattering mechanisms such as two-level systems or impurity band scattering likely contribute to phase decoherence in these alloys. Our results provide insight into the inelastic scattering mechanisms of GeSn, while suggesting a need for further investigation into phase decoherence mechanisms in doped group-IV alloys.

42 ENGINEERING↗
DOE OSTI2022

Effects of spin-orbit interaction and electron correlations in strontium titanate

Here, we show that the Bloch states in the conduction band of SrTiO 3 arise from the interplay between highly anisotropic hopping in subbands derived from the Ti t2g orbitals and spin-orbit coupling that mixes these orbitals. Because of the nearly flat-band characteristics for one of the principal axes, at sufficiently high doping these Bloch states become unstable with respect to electron interactions, resulting in Mott-like singlet correlations. These findings may be relevant to the anomalous electronic properties of SrTiO 3 , including its unusual superconductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A high‐order discontinuous Galerkin approach for physics‐based thermospheric modeling

Abstract The accurate prediction of aerodynamic drag on satellites orbiting in the upper atmosphere is critical to the operational success of modern space technologies, such as satellite‐based communication or navigation systems, which have become increasingly popular in the last few years due to the deployment of constellations of satellites in low‐Earth orbit. As a result, physics‐based models of the ionosphere and thermosphere have emerged as a necessary tool for the prediction of atmospheric outputs under highly variable space weather conditions. This paper proposes a high‐fidelity approach for physics‐based space weather modeling based on the solution of the Navier–Stokes equations using a high‐order discontinuous Galerkin method, combined with a matrix‐free strategy suitable for high‐performance computing on GPU architectures. The approach consists of a thermospheric model that describes a chemically frozen neutral atmosphere in nonhydrostatic equilibrium driven by the external excitation of the Sun. A novel set of variables is considered to treat the low densities present in the upper atmosphere and to accommodate the wide range of scales present in the problem. At the same time, and unlike most existing approaches, radial and angular directions are treated in a nonsegregated approach. The study presents a set of numerical examples that demonstrate the accuracy of the approximation and validate the current approach against observational data along a satellite orbit, including estimates of established empirical and physics‐based models of the ionosphere‐thermosphere system. Finally, a one‐dimensional radial derivation of the physics‐based model is presented and utilized for conducting a parametric study of the main thermal quantities under various solar conditions.

Engineering↗
DOE OSTI2025

An effective field theory for muon conversion and muon decay-in-orbit

Muon conversion is one of the best probes of charged lepton flavor violation. The experimental limit is soon expected to improve by four orders of magnitude, thus calling for precise predictions of the shape of the signal spectrum. Equally important are precise predictions for muon decay-in-orbit, the main background for muon conversion. While the calculation of electromagnetic corrections to the two processes above the nuclear scale does not involve significant challenges, it becomes substantially more complex below that scale due to multiple scales, bound-state effects and experimental setup. Here, we present a systematic framework that addresses these challenges by resorting to a series of effective field theories. Combining Heavy Quark Effective Theory (HQET), Non-Relativistic QED (NRQED), potential NRQED, Soft-Collinear Effective Theory I and II, and boosted HQET, we derive a factorization theorem and present the renormalization group equations. Our framework allows for the proper calculation of precise predictions for the rates of the two processes, with crucial implications for the upcoming muon conversion searches. We also provide the most accurate prediction of the signal shape for those searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Eject, crash, or survive: Using machine learning to predict orbital instability of exoplanetary systems

Astronomers throughout history, including titans like Kepler and Newton, have tackled planetary dynamics and orbital instability. Despite strides taken in research, understanding the evolution of planetary orbits remains an intricate, computationally expensive, and analytically unsolved problem. I apply machine learning classification methods to numerical simulations of planetary systems in order to predict the long-term fate of the planet - whether the planet remains in a stable orbit or not. My method uses the first 41.1 years (≤ 500 orbits) of data from a planet’s simulation to calculate 17 dynamically-motivated metrics; I trained my classifier on these features to predict a planet’s stability after 107 years. At 84.33%, my classifier was comparable in accuracy to pre-existing literature, despite using significantly less computational power than most other methods. In my research, I found that the standard deviation of eccentricity, mass ratios for neighboring planets, and semi-major axis ratio with the outer planet neighbor to be the most predictive features of instability. I propose reasons for the importance of these features, their role in planetary dynamics, as well as possible explanations for why some planets were misclassified. By understanding the important metrics of instability and reasons for misclassification, we can begin to understand more about system architectures, orbital motion and dynamics, and the formation and evolution of the exoplanetary systems. This is applicable in our own Solar System, and with exoplanet discovery missions such as TESS, this research becomes especially relevant in understanding the new exoplanetary systems we discover.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Eject, crash, or survive: Using machine learning to predict orbital instability of exoplanetary systems

Astronomers throughout history, including titans like Kepler and Newton, have tackled planetary dynamics and orbital instability. Despite strides taken in research, understanding the evolution of planetary orbits remains an intricate, computationally expensive, and analytically unsolved problem. I apply machine learning classification methods to numerical simulations of planetary systems in order to predict the long-term fate of the planet - whether the planet remains in a stable orbit or not. My method uses the first 41.1 years (≤ 500 orbits) of data from a planet’s simulation to calculate 17 dynamically-motivated metrics; I trained my classifier on these features to predict a planet’s stability after 107 years. At 84.33%, my classifier was comparable in accuracy to pre-existing literature, despite using significantly less computational power than most other methods. In my research, I found that the standard deviation of eccentricity, mass ratios for neighboring planets, and semi-major axis ratio with the outer planet neighbor to be the most predictive features of instability. I propose reasons for the importance of these features, their role in planetary dynamics, as well as possible explanations for why some planets were misclassified. By understanding the important metrics of instability and reasons for misclassification, we can begin to understand more about system architectures, orbital motion and dynamics, and the formation and evolution of the exoplanetary systems. This is applicable in our own Solar System, and with exoplanet discovery missions such as TESS, this research becomes especially relevant in understanding the new exoplanetary systems we discover.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

The Biomechanics of Indirect Traumatic Optic Neuropathy Using a Computational Head Model With a Biofidelic Orbit

Indirect traumatic optic neuropathy (ITON) is an injury to the optic nerve due to head trauma and usually results in partial or complete loss of vision. In order to advance a mechanistic understanding of the injury to the optic nerve, we developed a head model with a biofidelic orbit. Head impacts were simulated under controlled conditions of impactor velocity. The locations of impact were varied to include frontal, lateral, and posterior parts of the head. Impact studies were conducted using two types of impactors that differed in their rigidity relative to the skull. The simulated results from both the impactors suggest that forehead impacts are those to which the optic nerve is most vulnerable. The mode and location of optic nerve injury is significantly different between the impacting conditions. Simulated results using a relatively rigid impactor (metal cylinder) suggest optic nerve injury initiates at the location of the intracranial end of the optic canal and spreads to the regions of the optic nerve in the vicinity of the optic canal. In this case, the deformation of the skull at the optic canal, resulting in deformation of the optic nerve, was the primary mode of injury. On the other hand, simulated results using a relatively compliant impactor (soccer ball) suggest that primary mode of injury comes from the brain tugging upon the optic nerve (from where it is affixed to the intracranial end of the optic canal) during coup countercoup motion of the brain. This study represents the first published effort to employ a biofidelic simulation of the full length of the optic nerve in which the orbit is integrated within the whole head.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Benchmarking an Embedded Adaptive Sampling Configuration Interaction Method for Surface Reactions: H 2 Desorption from and CH 4 Dissociation on Cu(111)

Embedded (emb-) correlated wavefunction (CW) theory enables accurate assessments of both ground- and excited-state reaction mechanisms involved in heterogeneous catalysis. Embedded multireference second-order perturbation theory (emb-MRPT2) based on reference wavefunctions generated via embedded complete active space self-consistent field (emb-CASSCF) theory is currently state-of-the-art. However, the factorial scaling of CASSCF limits the size of active space and the complexity of systems that can be studied. In this work, we assess the efficacy of an alternative CW method, adaptive sampling configuration interaction (ASCI)–which enables large active spaces to be used–for studying surface reactions. We couple ASCI with density functional embedding theory (DFET) and benchmark its performance for two reactions: H 2 desorption from and CH 4 dissociation on the Cu(111) surface. Unlike embedded complete active space second-order perturbation theory (emb-CASPT2) that accurately reproduces a measured H 2 desorption barrier, embedded ASCI, using a very large active space (though one that still comprises a small portion of the full set of orbitals) fails to do so. Adding an extra correlation term from embedded Møller–Plesset second-order perturbation theory (emb-MP2) improves the desorption barrier and endothermicity predictions. Thus, the inaccuracy of embedded ASCI comes from the missing dynamic correlation from the many other electrons and orbitals not included in the active space. For CH 4 dissociation, again embedded ASCI overestimates the dissociation barrier compared to emb-CASPT2 predictions. Adding dynamic correlation from emb-MP2 helps correct the barrier. However, this composite approach suffers from double counting of correlation within embedded ASCI followed by emb-MP2 calculations. We therefore conclude that the state-of-the-art emb-MRPT2 based on reference wavefunctions generated via emb-CASSCF remains the method of choice for studying surface reactions. emb-ASCI is useful when large active spaces beyond the limit of emb-CASSCF are essential, such as to study complex surface reactions with significant multiconfigurational character (static correlation) but weak dynamic correlation.

08 HYDROGEN↗
DOE OSTI2020

Spikey: self-lensing flares from eccentric SMBH binaries

Here, we examine the light curves of two quasars, motivated by recent suggestions that a supermassive black hole binary (SMBHB) can exhibit sharp lensing spikes. We model the variability of each light curve as due to a combination of two relativistic effects: the orbital relativistic Doppler boost and gravitational binary self-lensing. In order to model each system, we extend previous Doppler plus self-lensing models to include eccentricity. The first quasar is identified in optical data as a binary candidate with a 20-yr period (Ark 120), and shows a prominent spike. For this source, we rule out the lensing hypothesis and disfavour the Doppler-boost hypothesis due to discrepancies in the measured versus recovered values of the binary mass and optical spectral slope. The second source, which we nickname Spikey, is the rare case of an active galactic nucleus identified in Kepler’s high-quality, high-cadence photometric data. For this source, we find a model, consisting of a combination of Doppler modulation and a narrow symmetric lensing spike, consistent with an eccentric SMBHB with a mass of $M_{\text{tot}} = 3\times 10^{7} {\, \mathrm{M}_{\odot }}$, rest-frame orbital period T = 418 d, eccentricity e = 0.5, and seen at an inclination of 8° from edge-on. This interpretation can be tested by monitoring Spikey for periodic behaviour and recurring flares in the next few years. In preparation for such monitoring, we present the first X-ray observations of this object taken by the Neil Gehrels Swift Observatory.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Quantifying Uncertainties In Neutron-Alpha Scattering With Chiral Nucleon-Nucleon And Three-Nucleon Forces

We report that modern ab initio theory combined with high-quality nucleon-nucleon (NN) and three-nucleon (3N) interactions from chiral effective field theory (EFT) can provide a predictive description of low-energy light-nuclei reactions relevant for astrophysics and fusion-energy applications. However, the high cost of computations has so far impeded a complete analysis of the uncertainty budget of such calculations. Starting from NN potentials up to fifth order (N 4 LO) combined with leading-order 3N forces, we study how the order-by-order convergence of the chiral expansion and confidence intervals for the 3N contact and contact-plus-one-pion-exchange low-energy constants (c E and c D ) contribute to the overall uncertainty budget of many-body calculations of neutron- 4 He (n-α) elastic scattering. We compute structure and reaction observables for three-, four-, and five-nucleon systems within the ab initio frameworks of the no-core shell model and no-core shell model with continuum. Using a small set of design runs, we construct a Gaussian process model (GPM) that acts as a statistical emulator for the theory. With this, we gain insight into how uncertainties in the 3N low-energy constants propagate throughout the calculation and determine the Bayesian posterior distribution of these parameters with Markov-Chain Monte Carlo. We find rapidly converging n-α phase shifts with respect to the chiral order. With the adopted leading-order 3N force, calculations based on the NN interaction at N 4 LO of Entem, Machleidt, and Nosyk are unable to reproduce the experimental phase shifts in the 3/2 - channel within the estimated chiral truncation errors. Closer agreement with empirical data is found when using an older parametrization of the NN interaction at order N 3 LO, and the position and width of the P-wave resonances can be used to reduce the uncertainty of the 3N low-energy constants. The present results point to a lack of spin-orbit strength when the newer parametrization of the chiral NN force up to fifth order is combined with the leading-order 3N force. The inclusion of higher-order 3N-force terms may be required to recover the missing strength. GPMs can act as fast and accurate emulators of ab initio many-body calculations of low-energy scattering and reactions of light nuclei, opening the way to a robust quantification of theoretical uncertainties grounded in the description of the underlying chiral Hamiltonian.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Multipoint Turbulence Analysis with HelioSwarm

Exploration of plasma dynamics in space, including turbulence, is entering a new era of multisatellite constellation measurements that will determine fundamental properties with unprecedented precision. Familiar but imprecise approximations will need to be abandoned and replaced with more-advanced approaches. We present a preparatory study of the evaluation of second- and third-order statistics, using simultaneous measurements at many points. Here, for specificity, the orbital configuration of the NASA Swarm mission is employed in conjunction with 3D magnetohydrodynamics numerical simulations of turbulence. The HelioSwarm nine-spacecraft constellation flies virtually through the turbulence to compare results with the exact numerical statistics. We demonstrate novel increment-based techniques for the computation of (1) the multidimensional spectra and (2) the turbulent energy flux. This latter increment-space estimate of the cascade rate, based on the third-order Yaglom–Politano–Pouquet theory, uses numerous increment-space tetrahedra. Our investigation reveals that HelioSwarm will provide crucial information on the nature of astrophysical turbulence.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Recent Developments in the General Atomic and Molecular Electronic Structure System

A discussion of many of the recently implemented features of GAMESS (General Atomic and Molecular Electronic Structure System) and LibCChem (the C++ CPU/GPU library associated with GAMESS) is presented. These features include fragmentation methods like the fragment molecular orbital, effective fragment potential and effective fragment molecular orbital methods, hybrid MPI/OpenMP approaches to Hartree-Fock and resolution of the identity second order perturbation theory. Many new coupled cluster theory methods have been implemented in GAMESS, as have multiple levels of density functional/tight binding theory. The role of accelerators, especially graphical processing units, is discussed in the context of the new features of LibCChem, as is the associated problem of power consumption as the power of computers increases dramatically. The process by which a complex program suite like GAMESS is maintained and developed is considered. Future developments are briefly summarized.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Magnetic Blocking in Fluoflavine Radical-Bridged Dilanthanide Complexes

Magnetic exchange coupling is difficult to foster in polynuclear lanthanide (Ln) complexes and poorly understood. While coupling Ln ions through closed-shell ligands is inherently weak due to the contracted 4f orbitals, placing open-shell ligands instead has proven to promote orders of magnitude stronger coupling, giving rise to single-molecule magnets (SMMs) innate to real magnetic memory effect in the case of the anisotropic Ln ions. Notably, the impact of radical bridges with differing oxidation states on magnetic blocking remains unexplored due to lack of Ln SMMs with radicals in two distinct charge states. Herein, the first dilanthanide complexes (Ln = Gd, Dy) containing fluoflavine (flv) bridges, [(Cp* 2 Ln) 2 (μ-flv z )]X, (where X = [Al(OC{CF 3 } 3 ) 4 ] − (z = 1−•), 1-Ln; X = 0 (z = 2−), 2-Ln; X =[K(crypt-222)] + (z = 3−•), 3-Ln) are reported. 1-Ln and 3-Ln, comprising the flv 1−• and flv 3−• radical bridges, were investigated via single-crystal X-ray diffraction (SCXRD), ultraviolet−visible (UV−vis) spectroscopy, Superconducting Quantum Interference Device (SQUID) magnetometry, high-field electron paramagnetic resonance (HF-EPR) spectroscopy and broken-symmetry density functional theory (BS-DFT) calculations. 1-Dy and 3-Dy constitute the first SMMs innate to radicals in two differing oxidation states. 1-Dy exhibits a spin-reversal barrier U eff of 28.36 cm −1 and open magnetic hysteresis loops below 3 K. By contrast, 3-Dy displays a much higher U eff of 143(2) cm −1 and open hysteresis loops until 9.5 K, representing a record for dilanthanide SMMs containing an organic radical bridge. The boost in SMM properties in 3-Dy is attributed to spin-phonon coupling and improved frontier orbital structure. This study paves the way for advanced design strategies of polynuclear Ln SMMs.

Benner, Florian [Michigan State Univ., East Lansin↗
DOE OSTI2022

Main and Satellite Features in the Ni 2p XPS of NiO

The origin and assignment of the complex main and satellite XPS features of the cations in ionic compounds has been the subject of extensive theoretical studies using different methods. There is agreement that within a molecular orbital model one needs to take into account different types of configurations. Specifically, those where a core electron is removed but no other configuration changes are made and those where in addition to ionization there are also shake or charge transfer changes to the ionic configuration. However, there are strong disagreements about the assignment of XPS features to these configurations. The present work is directed toward resolving the origin of main and satellite features for the Ni 2p XPS of NiO based on ab initio molecular orbital wavefunctions for a cluster model of NiO. A major problem in earlier ab initio XPS studies of ionic compounds has been the use of a common set of orbitals that was not able to properly describe all the ionic configurations that contribute to the full XPS spectra. This is resolved in the present work by using orbitals that are optimized for averages of the occupations of the different configurations that contribute to the XPS. The approach of using State Averaged orbitals is validated through comparisons between different averages and through use of higher order excitations in the wavefunctions for the ionic states. It represents a major extension of our earlier work on the main and satellite features of the Fe 2p XPS of Fe 2 O 3 and proves the reliability and the generality of the assignments of the character and origin of the different features of the XPS obtained with orbitals optimized for State Averages. These molecular orbital methods permit the characterization of the ionic states in terms of the importance of shake excitations and of the coupling of ionization of 2p 1/2 and 2p 3/2 spin-orbit split sub shells. Further, the work lays the foundation for definitive assignments of the character of main and satellite XPS features and points to their origin in the electronic structure of the material.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Recursive algorithm for constructing antisymmetric fermionic states in first quantization mapping

We devise a deterministic quantum algorithm to produce antisymmetric states of single-particle orbitals in the first quantization mapping. Unlike sorting-based antisymmetrization algorithms, which require ordered input states and high Clifford-gate overhead, our approach initializes the state of each particle independently. For a system of $η$ particles and $N$ single-particle states, our algorithm prepares antisymmetrized states of non-trivial localized (e.g., Hartree-Fock) orbitals using $O(η^2\sqrt{N})$ $T$-gates, outperforming alternative algorithms when $η ≲ \sqrt{N}$. To achieve such scaling, we require $O(\sqrt{N})$ dirty ancilla qubits for intermediate calculations. Knowledge of the single-particle states to be antisymmetrized can be leveraged to further improve the efficiency of the circuit, and a measurement-based variant reduces gate cost by roughly a factor of two. We show example circuits for two- and three-particle systems and discuss the generalization to an arbitrary number of particles. For a specific three-particle example, we decompose the circuit into Clifford $+T$ gates and study the impact of noise on the prepared state.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Flat band separation and robust spin Berry curvature in bilayer kagome metals

Kagome materials have emerged as a setting for emergent electronic phenomena that encompass different aspects of symmetry and topology. It is debated whether the XV 6 Sn 6 kagome family (where X is a rare-earth element), a recently discovered family of bilayer kagome metals, hosts a topologically non-trivial ground state resulting from the opening of spin–orbit coupling gaps. These states would carry a finite spin Berry curvature, and topological surface states. Here we investigate the spin and electronic structure of the XV 6 Sn 6 kagome family. We obtain evidence for a finite spin Berry curvature contribution at the centre of the Brillouin zone, where the nearly flat band detaches from the dispersing Dirac band because of spin–orbit coupling. In addition, the spin Berry curvature is further investigated in the charge density wave regime of ScV 6 Sn 6 and it is found to be robust against the onset of the temperature-driven ordered phase. Utilizing the sensitivity of angle-resolved photoemission spectroscopy to the spin and orbital angular momentum, our work unveils the spin Berry curvature of topological kagome metals and helps to define its spectroscopic fingerprint.

36 MATERIALS SCIENCE↗