Monolayer Borophene Formation on Cu(111) Surface Triggered by ⟨ 1 1 ¯ 0 ⟩ $\langle {1\bar{1}0} \rangle $ Step Edge.

Borophene, a promising material with potential applications in electronics, energy storage, and sensors, is successfully grown as a monolayer on Ag(111), Cu(111), and Au(111) surfaces using molecular beam epitaxy. The growth of two-dimensional borophene on Ag(111) and Au(111) is proposed to occur via surface adsorption and boron segregation, respectively. However, the growth mode of borophene on Cu(111) remains unclear. To elucidate this, scanning tunneling microscopy in conjunction with theoretical calculations is used to study the phase transformation of boron nanostructures under post-annealing treatments. Results show that by elevating the substrate temperature, boron nanostructures undergo an evolution from amorphous boron to striped-phase borophene (η = 1/6) adhering to the Cu ⟨ 1 1 ¯ 0 ⟩ $\langle {1\bar{1}0} \rangle $ step edge, and finally to irregularly shaped ß-type borophene (η = 5/36) either on the substrate surface or embedded in the topmost Cu layer. dI/dV spectra recorded near the borophene/Cu lateral interfaces indicate that the striped-phase borophene is a metastable phase, requiring more buckling and electron transfer to stabilize the crystal structure. These findings offer not only an in-depth comprehension of the ß-type borophene formation on Cu(111), but also hold potential for enabling borophene synthesis on weakly-binding semiconducting or insulating substrates with 1D active defects.

Dissociation dynamics of anionic carbon monoxide in dark states.

A resonant system consisting of an excess electron and a closed-shell atom or molecule, as a temporary negative ion, is usually in doublet-spin states that are analogous to bright states of photoexcitation of the neutral. However, anionic higher-spin states, noted as dark states, are scarcely accessed. Here, we report the dissociation dynamics of CO- in dark quartet resonant states that are formed by electron attachments to electronically excited CO (a3Π). Among the dissociations to O-(2P) + C(3P), O-(2P) + C(1D), and O-(2P) + C(1S), the latter two are spin-forbidden in the quartet-spin resonant states of CO-, while the first process is preferred in 4Σ- and 4Π states. The present finding sheds new light on anionic dark states.

Outer Valence Photoionization and Autoionization of Formaldehyde.

We investigate photoionization from the ground electronic state of the formaldehyde molecule. Both partial cross sections and asymmetry parameters leading to the X2B2, A2B1, C2B2, and D2A1 states of H2CO+ ions are studied in the photon region of 10-90 eV using a multichannel R-matrix method, which uses the configuration interaction (CI) to describe electronic correlation. We check the sensitivity of the results to change descriptions of the continuum, the different partial waves, and the active spaces in the theoretical model. And we obtain the convergent result of the present calculations. Extensive resonance structures near the ionization threshold are observed for the first time. Our predicted total cross sections and asymmetry parameters differ from these obtained by previous theoretical approaches, all of which neglected correlation effects. The present results were found to agree reasonably well with the available experimental results, suggesting the reliability of our calculations.

Pressure-Tuned Intralayer Exchange in Superlattice-Like MnBi2Te4/(Bi2Te3)n Topological Insulators.

The magnetic structures of MnBi2Te4(Bi2Te3)n can be manipulated by tuning the interlayer coupling via the number of Bi2Te3 spacer layers n, while the intralayer ferromagnetic (FM) exchange coupling is considered too robust to control. By applying hydrostatic pressure up to 3.5 GPa, we discover opposite responses of magnetic properties for n = 1 and 2. MnBi4Te7 stays at A-type antiferromagnetic (AFM) phase with a decreasing Néel temperature and an increasing saturation field. In sharp contrast, MnBi6Te10 experiences a phase transition from A-type AFM to a quasi-two-dimensional FM state with a suppressed saturation field under pressure. First-principles calculations reveal the essential role of intralayer exchange coupling from lattice compression in determining these magnetic properties. Such magnetic phase transition is also observed in 20% Sb-doped MnBi6Te10 because of the in-plane lattice compression.

Band Sharpening and Band Alignment Enable High Quality Factor to Enhance Thermoelectric Performance in n-Type PbS.

Low-cost and earth-abundant PbS-based thermoelectrics are expected to be an alternative for PbTe, and have attracted extensive attentions from thermoelectric community. Herein, a maximum ZT (ZTmax) ≈ 1.3 at 923 K in n-type PbS is obtained through synergistically optimizing quality factor with Sn alloying and PbTe phase incorporation. It is found that Sn alloying in PbS can sharpen the conduction band shape to balance the contradictory interrelationship between carrier mobility and effective mass, accordingly, a peak power factor of ∼19.8 µWcm-1K-2 is achieved. Besides band sharpening, Sn alloying can also narrow the band gap of PbS so as to make the conduction band position between Pb0.94Sn0.06S and PbTe well aligned, which can benefit high carrier mobility. Therefore, incorporating the PbTe phase into the Pb0.94Sn0.06S matrix can not only favorably maintain the carrier mobility at ∼150 cm2V-1s-1 but also suppress the lattice thermal conductivity to ∼0.61 Wm-1K-1 in Pb0.94Sn0.06S-8%PbTe, which contributes to a largely enhanced quality factor. Consequently, an average ZT (ZTave) ≈ 0.72 in 300-923 K is achieved in Pb0.94Sn0.06S-8%PbTe that outperforms other n-type PbS-based thermoelectric materials.

Superconductivity in a Hole-Doped Mott-Insulating Triangular Adatom Layer on a Silicon Surface.

Adsorption of one-third monolayer of Sn on an atomically clean Si(111) substrate produces a two-dimensional triangular adatom lattice with one unpaired electron per site. This dilute adatom reconstruction is an antiferromagnetic Mott insulator; however, the system can be modulation doped and metallized using heavily doped p-type Si(111) substrates. Here, we show that the hole-doped dilute adatom layer on a degenerately doped p-type Si(111) wafer is superconducting with a critical temperature of 4.7±0.3 K. While a phonon-mediated coupling scenario would be consistent with the observed T_{c}, Mott correlations in the Sn-derived dangling-bond surface state could suppress the s-wave pairing channel. The latter suggests that the superconductivity in this triangular adatom lattice may be unconventional.

A two-dimensional ErCu2 intermetallic compound on Cu(111) with moiré-pattern-modulated electronic structures.

A rare-earth compound on a metal may form a two-dimensional (2D) intermetallic compound whose properties can be further modulated by the underlying substrate periodicity and coupling. Here, we present a combinational and systematic investigation using scanning tunneling microscopy/spectroscopy (STM/STS) and density functional theory (DFT) calculations on erbium (Er) on Cu(111). Experimentally, an intriguing growth mode transition from a branched island to a fractal-like island has been observed depending on whether the deposition process of Er is interrupted for a certain duration: post-deposition effects, such as nucleation and island growth controlled by diffusion, play an essential role in altering the Er island edge and its activity. Upon annealing, the branched Er islands become strands of amorphous surface alloy; in contrast, the fractal-like islands (with additional Er atoms on top) give rise to a monolayer thick 2D ErCu2 intermetallic compound and display a moiré pattern. Theoretically, using DFT calculations, we found that the characteristic energy states, particularly the state in the unoccupied region around 582-663 meV, of the 2D ErCu2 intermetallic compound are position-dependent, consistent with STS measurements. The moiré pattern originating from the mismatch of the periodicities of the ErCu2 layer and the Cu(111) surface was identified to be responsible for the observed periodic modulation on the coupling interaction that affects the electronic structures. Our further DFT calculations on a free-standing ErCu2 monolayer found it to be a 2D ferromagnet with topological band structures. Our work should stimulate further studies on such 2D rare-earth-based nanostructures and exploration of the use of the tunable electronic structures in such atomically-thin layers.

Controllable dissociations of PH3 molecules on Si(001).

We demonstrate for the first time to our knowledge that controllable dissociation of PH3 adsorption products PHx (x = 2, 1) can be realized by STM (scanning tunneling microscope) manipulation techniques at room temperature. Five dissociative products and their geometric structures are identified via combining STM experiments and first-principle calculations and simulations. In total we realize nine kinds of controllable dissociations by applying a voltage pulse among the PH3-related structures on Si(001). The dissociation rates of the five most common reactions are measured by the I-t spectrum method as a function of voltage. The suddenly increased dissociation rate at 3.3 V indicates a transition from multivibrational excitation to single-step excitation induced by inelastic tunneling electrons. Our studies prove that selectively breaking the chemical bonds of a single molecule on semiconductor surface by STM manipulation technique is feasible.

Investigation of structural parameters influencing vibration characteristics of heavy-duty truck diesel tanks.

The working conditions of heavy-duty trucks are very complicated as the diesel shaking and resonance problems, which causes weld tears, separators to fall off, and other failures occur. Through experiments and finite element simulation, the natural frequency and vibration mode of a given 400 L diesel tank were calculated to study the influences of structural parameters such as the fill ratio (0.1-0.9), the number of baffle plates (0, 1, 2), the spacing of the plates (240 mm, 400 mm, 560 mm) and the aperture (38 mm, 78 mm, 118 mm) on the modal parameters with the wet mode method. The results of the hammering mode test and the simulation modal analysis agree well with the maximum error is 4.8%; the natural frequency of the diesel tank will increase with fill ratio decrease; the increase of the baffle plate number (0, 1, 2) can effectively increase the first-order natural frequency of the diesel tank, but the change of the natural frequency is not obvious on the higher order; the higher plates spacing has a smaller natural frequency; increasing the aperture will highly increase the natural frequency, 188 mm has better vibration safety.

[Effects of arbuscular mycorrhizal fungi on terpenoids in Isodon adenantha].

OBJECTIVE: To observe the effects of Arbuscular Mycorrhizal (AM) fungi on terpenoids in Isodon adenantha. METHODS: Three different treated plant groups were divided as followings: indoor inoculation with AM fungi, non-inoculation with AM fungi, and outdoor natural growth, the effects of AM fungi on the major terpenoids in Isodon adenantha were evaluated. RESULTS: AM fungi had little influence on the content of terpenoids in underground part of Isodon adenantha, but they showed great impact on the content of terpenoids in the aerial part of the plant. CONCLUSION: The content of terpenoids in the aerial part of Isodon adenantha is positively correlated with AM fungi.

A Case of Fulminant Right Heart Failure Owing to Tumoral Pulmonary Hypertension.

Tumoral pulmonary hypertension is a rare cause of pulmonary hypertension. We report a patient who was thought to have idiopathic pulmonary arterial hypertension, but later developed fulminant right heart failure ultimately leading to death. Autopsy revealed substantial pulmonary tumor embolism burden originating from liver adenocarcinoma. (Level of Difficulty: Advanced.).

Spectroscopic signature of obstructed surface states in SrIn2P2.

The century-long development of surface sciences has witnessed the discoveries of a variety of quantum states. In the recently proposed "obstructed atomic insulators", symmetric charges are pinned at virtual sites where no real atoms reside. The cleavage through these sites could lead to a set of obstructed surface states with partial electronic occupation. Here, utilizing scanning tunneling microscopy, angle-resolved photoemission spectroscopy and first-principles calculations, we observe spectroscopic signature of obstructed surface states in SrIn2P2. We find that a pair of surface states that are originated from the pristine obstructed surface states split in energy by a unique surface reconstruction. The upper branch is marked with a striking differential conductance peak followed by negative differential conductance, signaling its localized nature, while the lower branch is found to be highly dispersive. This pair of surface states is in consistency with our calculational results. Our finding not only demonstrates a surface quantum state induced by a new type of bulk-boundary correspondence, but also provides a platform for exploring efficient catalysts and related surface engineering.

Charge instability of topological Fermi arcs in chiral crystal CoSi.

Topological boundary states emerged at the spatial boundary between topological non-trivial and trivial phases, are usually gapless, or commonly referred as metallic states. For example, the surface state of a topological insulator is a gapless Dirac state. These metallic topological boundary states are typically well described by non-interacting fermions. However, the behavior of topological boundary states with significant electron-electron interactions, which could turn the gapless boundary states into gapped ordered states, e.g., density wave states or superconducting states, is of great interest theoretically, but is still lacking evidence experimentally. Here, we report the observation of incommensurable charge density wave (CDW) formed on the topological boundary states driven by the electron-electron interactions on the (001) surface of CoSi. The wavevector of CDW varies as the temperature changes, which coincides with the evolution of topological surface Fermi arcs with temperature. The orientation of the CDW phase is determined by the chirality of the Fermi arcs, which indicates a direct association between CDW and Fermi arcs. Our finding will stimulate the search of more interactions-driven ordered states, such as superconductivity and magnetism, on the boundaries of topological materials.

Arsenic Monolayers Formed by Zero-Dimensional Tetrahedral Clusters and One-Dimensional Armchair Nanochains.

One-dimensional (1D) arsenene nanostructures are predicted to host a variety of interesting physical properties including antiferromagnetic, semiconductor-semimetal transition and quantum spin Hall effect, which thus holds great promise for next-generation electronic and spintronic devices. Herein, we devised a surface template strategy in a combination with surface-catalyzed decomposition of molecular As4 cluster toward the synthesis of the superlattice of ultranarrow armchair arsenic nanochains in a large domain on Au(111). In the low annealing temperature window, zero-dimensional As4 nanoclusters are assembled into continuous films through intermolecular van der Waals and molecule-substrate interactions. At the elevated temperature, the subsequent surface-assisted decomposition of molecular As4 nanoclusters leads to the formation of a periodic array of 1D armchair arsenic nanochains that form a (2 × 3) superstructure on the Au(111) surface. These ultranarrow armchair arsenic nanochains are predicted to have a small bandgap of ∼0.50 eV, in contrast to metallic zigzag chains. In addition, the Au-supported arsenic nanochains can be flipped to form a bilayer structure through tip indentation and manipulation, suggesting the possible transfer of these nanochains from the substrate. The successful realization of arsenic nanostructures is expected to advance low-dimensional physics and infrared optoelectronic nanodevices.

Electrochemically Exfoliated Platinum Dichalcogenide Atomic Layers for High-Performance Air-Stable Infrared Photodetectors.

Platinum dichalcogenide (PtX2), an emergent group-10 transition metal dichalcogenide (TMD) has shown great potential in infrared photonic and optoelectronic applications due to its layer-dependent electronic structure with potentially suitable bandgap. However, a scalable synthesis of PtSe2 and PtTe2 atomic layers with controlled thickness still represents a major challenge in this field because of the strong interlayer interactions. Herein, we develop a facile cathodic exfoliation approach for the synthesis of solution-processable high-quality PtSe2 and PtTe2 atomic layers for high-performance infrared (IR) photodetection. As-exfoliated PtSe2 and PtTe2 bilayer exhibit an excellent photoresponsivity of 72 and 1620 mA W-1 at zero gate voltage under a 1540 nm laser illumination, respectively, approximately several orders of magnitude higher than that of the majority of IR photodetectors based on graphene, TMDs, and black phosphorus. In addition, our PtSe2 and PtTe2 bilayer device also shows a decent specific detectivity of beyond 109 Jones with remarkable air-stability (>several months), outperforming the mechanically exfoliated counterparts under the laser illumination with a similar wavelength. Moreover, a high yield of PtSe2 and PtTe2 atomic layers dispersed in solution also allows for a facile fabrication of air-stable wafer-scale IR photodetector. This work demonstrates a new route for the synthesis of solution-processable layered materials with the narrow bandgap for the infrared optoelectronic applications.

On-Surface Synthesis of Graphene Nanoribbons on Two-Dimensional Rare Earth-Gold Intermetallic Compounds.

Here, we demonstrate two reliable routes for the fabrication of armchair-edge graphene nanoribbons (GNRs) on TbAu2/Au(111), belonging to a class of two-dimensional ferromagnetic rare earth-gold intermetallic compounds. On-surface synthesis directly on TbAu2 leads to the formation of GNRs, which are short and interconnected with each other. In contrast, the intercalation approach-on-surface synthesis of GNRs directly on Au(111) followed by rare earth intercalation-yields GNRs on TbAu2/Au(111), where both the ribbons and TbAu2 are of high quality comparable with those directly grown on clean Au(111). Besides, the as-grown ribbons retain the same band gap while changing from p-doping to weak n-doping mainly due to a change in the work function of the substrate after the rare earth intercalation. The intercalation approach might also be employed to fabricate other types of GNRs on various rare earth intermetallic compounds, providing platforms to tailor the electronic and magnetic properties of GNRs on magnetic substrates.

Two-Dimensional Rare Earth-Gold Intermetallic Compounds on Au(111) by Surface Alloying.

Surface alloying is a straightforward route to control and modify the structure and electronic properties of surfaces. Here, we present a systematic study on the structural and electronic properties of three novel rare earth-based intermetallic compounds, namely, ReAu2 (Re = Tb, Ho, and Er), on Au(111) via directly depositing rare earth metals onto the hot Au(111) surface. Scanning tunneling microscopy/spectroscopy measurements reveal very similar atomic structures and electronic properties, e.g., electronic states and surface work functions, for all these intermetallic compound systems because of the physical and chemical similarities between these rare earth elements. Further, these electronic properties are periodically modulated by the moiré structures caused by the lattice mismatches between ReAu2 and Au(111). These periodically modulated surfaces could serve as templates for the self-assembly of nanostructures. In addition, these two-dimensional rare earth-based intermetallic compounds provide platforms to investigate rare earth-related catalysis, magnetisms, etc. in the lower dimensions.

Synthesis of nanoporous graphenes via decarboxylation reaction.

Two kinds of C-C bonded crystalline nanoporous graphenes (NPGs) have been synthesized by using a newly developed decarboxylation reaction. Both NPGs show good electrocatalytic oxygen evolution reaction (OER) activities. The clear pore-edge structures of the synthesized NPGs provide an ideal platform for further OER investigations.

Symmetric Sodium-Ion Battery Based on Dual-Electron Reactions of NASICON-Structured Na3MnTi(PO4)3 Material.

Symmetric sodium-ion batteries possess promising features such as low cost, easy manufacturing process, and facile recycling post-process, which are suitable for the application of large-scale stationary energy storage. Herein, we proposed a symmetric sodium-ion battery based on dual-electron reactions of a NASICON-structured Na3MnTi(PO4)3 material. The Na3MnTi(PO4)3 electrode can deliver a stable capacity of up to 160 mAh g-1 with a Coulombic efficiency of 97% at 0.1 C by utilizing the redox reactions of Ti3+/4+, Mn2+/3+, and Mn3+/4+. This is the first time to investigate the symmetric sodium-ion full cell using Na3MnTi(PO4)3 as both cathode and anode in the organic electrolyte, demonstrating excellent reversibility and cycling performance with voltage plateaus of about 1.4 and 1.9 V. The full cell exhibits a reversible capacity of 75 mAh g-1 at 0.1 C and an energy density of 52 Wh kg-1. In addition, both ex situ X-ray diffraction (XRD) analysis and first-principles calculations are employed to investigate the sodiation mechanism and structural evolution. The current research provides a feasible strategy for the symmetric sodium-ion batteries to achieve high energy density.

Electron momentum spectroscopy study on valence electronic structures of ethylamine.

The valence-shell binding energy spectra and electron momentum profiles of gaseous ethylamine are measured by (e, 2e) electron momentum spectroscopy. When taking into account the Boltzmann-weighted abundance of 39% for trans and 61% for two equivalent gauche conformers coexisted in ethylamine, the thermally averaged electron momentum profiles for all valence orbitals calculated using B3LYP method with 6-311++G** and aug-cc-pVTZ basis sets reproduce the experimental ones well, which supports that the trans conformer is more stable. In addition, the controversial ordering of 2a'' and 7a' orbitals for the trans conformer is reassigned and an ionization band at about 13.7 eV, which was uncertain in previous literatures, is confirmed by comparing the experimental momentum profiles with the theoretical ones for the respective molecular orbitals. Furthermore, the ionization potentials and pole strengths for the inner valence orbitals are reported for the first time.