Achieving Rich and Active Alkaline Hydrogen Evolution Heterostructures via Interface Engineering on 2D 1T‐MoS2 Quantum Sheets

Large‐scale production of hydrogen from water‐alkali electrolyzers is impeded by the sluggish kinetics of hydrogen evolution reaction (HER) electrocatalysts. The hybridization of an acid‐active HER catalyst with a cocatalyst at the nanoscale helps boost HER kinetics in alkaline media. Here, it is demonstrated that 1T–MoS₂ nanosheet edges (instead of basal planes) decorated by metal hydroxides form highly active ${\text{edge}}_{{\text{1T‐MoS}}_{\text{2}}}$/ ${\text{edge}}_{\text{Ni}{(\text{OH})}_{\text{2}}}$ heterostructures, which significantly enhance HER performance in alkaline media. Featured with rich ${\text{edge}}_{{\text{1T‐MoS}}_{\text{2}}}$/ ${\text{edge}}_{\text{Ni}{(\text{OH})}_{\text{2}}}$ sites, the fabricated 1T–MoS₂ QS/Ni(OH)₂ hybrid (quantum sized 1T–MoS₂ sheets decorated with Ni(OH)₂ via interface engineering) only requires overpotentials of 57 and 112 mV to drive HER current densities of 10 and 100 mA cm^?2, respectively, and has a low Tafel slope of 30 mV dec^?1 in 1 m KOH. So far, this is the best performance for MoS₂‐based electrocatalysts and the 1T–MoS₂ QS/Ni(OH)₂ hybrid is among the best‐performing non‐Pt alkaline HER electrocatalysts known. The HER process is durable for 100 h at current densities up to 500 mA cm^?2. This work not only provides an active, cost‐effective, and robust alkaline HER electrocatalyst, but also demonstrates a design strategy for preparing high‐performance catalysts based on edge‐rich 2D quantum sheets for other catalytic reactions.     

Organic Light-Emitting Diodes: Pushing Toward the Limits and Beyond

Organic light-emitting diodes (OLEDs) are established as a mainstream light source for display applications and can now be found in a plethora of consumer electronic devices used daily. This success can be attributed to the rich luminescent properties of organic materials, but efficiency enhancement made over the last few decades has also played a significant role in making OLEDs a practically viable technology. This report summarizes the efforts made so far to improve the external quantum efficiency (EQE) of OLEDs and discusses what should further be done to push toward the ultimate efficiency that can be offered by OLEDs. The study indicates that EQE close to 58% and 80% can be within reach without and with additional light extraction structures, respectively, with an optimal combination of cavity engineering, low-index transport layers, and horizontal dipole orientation. In addition, recent endeavors to identify possible applications of OLEDs beyond displays are presented with emphasis on their potential in wearable healthcare, such as OLED-based pulse oximetry as well as phototherapeutic applications based on body-attachable flexible OLED patches. OLEDs with fabric-like form factors and washable encapsulation strategies are also introduced as technologies essential to the success of OLED-based wearable electronics.     

Theoretical design study on the origin of the improved phosphorescent efficiency of DPEphos quinoline-substituted derivatives for OLEDs

Various tetrahedral heteroleptic Cu(I) complexes, as red organic light-emitting diodes (OLEDs), show a concern of maximizing the quantum yield (QY) in order to improve the optoelectronic performance. Herein, three experimental [Cu(N^N) (bis [2-(diphenylphosphino)phenyl]ether)]⁺ (named 1, 2 and 3) were selected as the jumping-off point, following two complexes (named 4 and 5) were successfully designed by introducing bulky electron-donating substituents into N^N ligands continuously. As expected, the QY of designed complexes 4 (0.26) and 5 (0.13) exhibit over twice higher than that of 3 (5.4 × 10⁻²). This can be attributed to the enhanced electron-donating property of N^N ligand, which accelerated the radiative transition rate (k_r) through the apparently elevated energy level of the lowest triplet excited state (T₁) and strengthened transition dipole moments, even though the spin-orbit coupling (SOC) effect is weakened. Simultaneously, the tetrahedral geometric distortion could be effectively restrained by the bulky N^N ligands, but the high vibrational freedom of the terminal substituents could also bring in some unfavorable intra-ligand deformation, resulting in an upward of the nonradiative transition rate (k_nr) at 5 (k_nr: 0.30 × 10⁵ s⁻¹ for 4; 0.95 × 10⁵ s⁻¹ for 5). Therefore, it's worth noting that the balance of excited state energy level, SOC effect as well as the reorganization energy ought to be elaborately regulated to achieve the optimal QY. This detailed investigation on the microscopic mechanism of these Cu(I) complexes can provide instructive inspiration for experimentalists.     

格点QCD基础求解器及其异构计算实现的性能优化

格点量子色动力学(格点QCD)是研究夸克、胶子等微观粒子间相互作用的重要理论和方法. 通过将时空离散化为四维结构网格, 并将量子色动力学的基本场量定义在网格上, 让研究人员可以使用数值模拟方法, 从第一性原理出发研究强子间相互作用和性质, 但这个过程中的计算量极大, 需要进行大规模并行计算. 格点QCD计算的核心基础为格点QCD求解器, 是程序运行主要的计算热点模块. 本文研究在国产异构计算平台下格点QCD求解器的实现与优化, 提出一套格点QCD求解器的设计实现, 实现了BiCGSTAB求解器, 显著降低了迭代次数; 通过对奇偶预处理技术, 降低了所求问题的计算规模; 针对国产异构加速卡的特点, 优化了Dslash模块的访存操作. 实验测试表明, 相比优化前的求解器获得了约30倍的加速比, 为国产异构超算下格点QCD软件性能优化提供了有益的参考价值.     

The optimization landscape of hybrid quantum–classical algorithms: From quantum control to NISQ applications

This review investigates the landscapes of hybrid quantum–classical optimization algorithms that are prevalent in many rapidly developing quantum technologies, where the objective function is computed by either a natural quantum system or an engineered quantum ansatz, but the optimizer is classical. In any particular case, the nature of the underlying control landscape is fundamentally important for systematic optimization of the objective. In early studies on the optimal control of few-body dynamics, the optimizer could take full control of the relatively low-dimensional quantum systems to be manipulated. Stepping into the noisy intermediate-scale quantum (NISQ) era, the experimentally growing computational power of the ansatz expressed as quantum hardware may bring quantum advantage over classical computers, but the classical optimizer is often limited by the available control resources. Across these different scales, we will show that the landscape’s geometry experiences morphological changes from favorable trap-free landscapes to easily trapping rugged landscapes, and eventually to barren-plateau landscapes on which the optimizer can hardly move. This unified view provides the basis for understanding classes of systems that may be readily controlled out to those with special consideration, including the difficulties and potential advantages of NISQ technologies, as well as seeking possible ways to escape traps or plateaus, in particular circumstances.     

Multi-key FHE without ciphertext-expansion in two-server model

López-Alt et al.(STOC12)put forward a primitive called multi-key fully homomorphic encryption(MKFHE),in which each involved party encrypts their own data using keys that are independently and randomly chosen whereby arbitrary computations can be performed on these encrypted data by a final collector.Subsequently,several superior schemes based on the standard assumption(LWE)were proposed.Most of these schemes were constructed by expanding a fresh GSW-ciphertext or BGV-ciphertext under a single key to a new same-type ciphertext of the same message under a combination of associated parties’keys.Therefore,the new ciphertext’s size grew more or less linearly with an increase in the number of parties.In this paper,we proposed a novel and simple scheme of MKFHE based on LWE without increasing the size of the ciphertext in the two non-collusion server model.In other words,each party first independently shares their own data between two servers and each server only needs a one-round communication with another to construct a ciphertext of the same plaintext under a sum of associated parties’keys.Our new ciphertext under multiple keys has the same size as that of the original one with only one-round communication between two servers.The communication complexity is O(kmlogq)-bit,where k is the number of input ciphertexts involved,m is the size of a GSW-ciphertext and q is a modulus.In conclusion,we proved that our scheme is CPA-secure against semi-honest adversaries.     

黄铁矿的氧化与浮选机理

用量子化学CNDO/2方法研究了黄铁矿表面的电子结构和化学键性质,讨论了黄铁矿表面原子、氧和黄药的相互作用,阐明了黄铁矿表面的共价键特征和接收电子的能力,认为清洁的黄铁矿表面可以与黄药作用生成黄原酸盐,而在有氧吸附的表面上是难以生成黄原酸盐。但吸附的氧可以使黄药氧化生成双黄药,成为反应的活性中心。黄铁矿表面则对该反应起着电催化作用。     

反倾岩石边坡变形破坏试验及有限元分析

根据相似理论建立地质力学模型,研究反倾层状边坡岩体的变形破坏机制。介绍了模型试验的设计和过程,研究了原型边坡的变形破坏机制和岩层倾角对边坡稳定性的影响。同时进行了Ansys模拟计算。通过比较这两种研究方法的结果,发现反倾层状边坡岩体的变形机制为倾倒变形,破坏模式为弯折破坏;破坏首先在坡顶产生,边坡变形加速的过程是在开挖结束一段时间后才出现;岩层倾角的变化对反倾边坡的变形影响不敏感,但对边坡变形加速持续时间的长短有较大的影响,岩层倾角越小,变形加速所持续的时间越长。     

地应力与岩体红外辐射现象理论初探

针对发生在井上、下与地应力有关的大量低温红外辐射现象，提出了电弧理论、流动电位理论、压电效应理论等宏观解释。把地应力加速积累过程中产生的各种效应作为激发能量源，提出了岩体矿物中“原子振动能量子”跃迁机理。这项理论研究的重要意义在于，对岩爆、地震、远期气象预报是十分有价值的红外信息。