Liang Qiao's research while affiliated with Yangtze Delta Region Institute of Tsinghua University and other places

Publications (80)

Article
Infinite-layer nickelate superconductors RNiO2 (R=La, Nd, Pr) are synthesized via chemical reduction using the CaH2 agent, and the unintentional introduction of H dopant during the reduction process may affect RNiO2 quality and ultimately determine their electronic properties. However, the ground-state configurations and electronic structures of RN...
Article
Exploring efficient strategies to overcome the performance constraints of oxygen evolution reaction (OER) electrocatalysts is vital for electrocatalytic applications such as H2O splitting, CO2 reduction, N2 reduction, etc. Herein, tunable, wide-range strain engineering of spinel oxides, such as NiFe2O4, is proposed to enhance the OER activity. The...
Article
Despite the intensive interest in copper- and nickel-based superconductivity in infinite-layer structures, the physical properties of many other infinite-layer transition-metal oxides remain largely unknown. Here we unveil, by the first-principles calculations, the electronic correlation (EC)-driven series of quantum-phase transitions (QPTs) in inf...
Article
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Semiconductor‐based solar‐driven water splitting technology is an environmentally friendly and cost‐effective approach for the production of clean fuels. The overall solar‐to‐hydrogen efficiency of semiconductor‐based photo(electro)catalysts is jointly determined by factors, such as light absorption efficiency of the photo(electro)catalysts, intern...
Article
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The implementation of Ni‐based brazing filler metal for bonding SiC to metals can effectively expand the high‐temperature applications of SiC‐based composite materials. To reduce the excessive brittle phases formed in the reaction between SiC/Ni, this study used Au, a chemically stable element, as an additive to investigate the experimental mechani...
Article
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The newly discovered nickelate superconductors so far only exist in epitaxial thin films synthesized by a topotactic reaction with metal hydrides¹. This method changes the nickelates from the perovskite to an infinite-layer structure by deintercalation of apical oxygens1–3. Such a chemical reaction may introduce hydrogen (H), influencing the physic...
Article
The exploration for economic and ecological strategies to fulfill macro-synthesis of highly efficient nano-electrocatalysts has always been a key concern for electrocatalytic energy conversion field. Herein, a room-temperature oxygen-reduction deposition method was proposed to achieve the scaled-up preparation of Ni incorporated polycrystalline FeO...
Article
Recently, charge density waves (CDWs) have been observed in CaCuO2−analogous infinite-layer nickelates RNiO2 (R=La, Nd) but exhibit very different hole doping dependent behaviors compared to that in cuprates, raising a challenging question on its origin. In this paper, employing density functional theory, many-body dynamic mean field theory, and de...
Article
A facile metal–organic framework (MOF)-derived isomeric strategy to prepare [email protected]3O4 single-shelled hollow cubes (HCs) is described. The crystallinity, morphology, and microstructure of the as-synthesized [email protected]3O4 HCs are characterized in detail by X-ray diffraction, field-emission scanning electron microscopy, energy disper...
Article
Tailoring tantalum disulfide (TaS2) electrocatalysts with tunable stacking architecture and phase structure is of great importance for advancement of hydrogen evolution reaction (HER). In this work, stacking architecture- and phase- modulated tantalum disulfide nanosheets are reported through a facile liquid phase synthesis strategy. Accordion-like...
Preprint
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The infinite-layer nickelates, isostructural to the high-Tc superconductor cuprates, have risen as a promising platform to host unconventional superconductivity and stimulated growing interests in the condensed matter community. Despite numerous researches, the superconducting pairing symmetry of the nickelate superconductors, the fundamental chara...
Article
Developing highly-active, earth-abundant non-precious-metal catalysts for hydrogen evolution reaction (HER) in alkaline solution would be beneficial to sustainable energy storage. Perovskite oxides are generally regarded as low-active HER catalysts, due to their inapposite hydrogen adsorption and water dissociation. Here, we report a detailed study...
Article
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The layered semiconductor Bi2O2Se is a promising new‐type two‐dimensional material that holds layered structure via electrostatic forces instead of van der Waals (vdW) attractions. Aside from the huge success in device performance, the non‐vdW nature in Bi2O2Se with a built‐in interlayer electric field has also provided an appealing platform for in...
Article
Hydrogen Evolution Reaction In article number 2200434, Shude Liu, Yusuke Yamauchi, Junlei Qi and co‐workers propose a vacancy‐driven strategy for filling Pt into Ni‐vacancies to boost hydrogen evolution reaction activity. The Pt atoms filling into the Ni vacancies subsequently combine with additional O vacancies to tune the electronic structure of...
Article
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The discovery of superconducting states in the nickelate thin film with infinite-layer structure has paved a new way for studying unconventional superconductivity. So far, research in this field is still very limited due to difficulties in sample preparation. Here we report the successful preparation of the superconducting state of Nd0.8Sr0.2NiO2 t...
Article
Reasonable design and preparation of the earth abundant and efficient electrocatalysts for hydrogen production from the electrolysis of water is an effective solution to solve the growing global energy and environmental crisis. Herein, in order to increase the number of the active sites and fasten the charge transfer of NiCo2S4, a facile two-step s...
Article
Various and critical electrocatalytic processes are involved during the redox reactions in the Li-S batteries, which extremely depend on the surface structure and chemical state. Recently, single-atom concept unlocks a route to maximize the use of surface-active atoms, however, further increasing the density of active site is still strictly limited...
Article
Layered LaCuOX (X = S, Se, and Te) have great potential for high-performance photoelectric (PE) applications, while little is known about their mechanical and thermal properties. The lack of this information will hinder understanding their transport mechanisms and applications as high TE/PE energy conversion efficiency devices. This study investiga...
Article
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Developing low‐cost and high‐efficiency catalysts for sustainable hydrogen production through electrocatalytic hydrogen evolution reaction (HER) is crucial yet remains challenging. Here, a strategy is proposed to fill Ni‐vacancy (Niv) sites of dual‐deficient NiO (D‐NiO‐Pt) deliberately created by Ar plasma with homogeneously distributed Pt atoms dr...
Article
We studied the long-term corrosion behavior of carbide/316 L stainless steel joints brazed with AgCuX alloys (X = Ti, In). The results show that the Cu-based solid solution (Cu (s,s)) in the brazing alloy is the weak link of corrosion germination. Ti increases the Fermi level and decreases the *H adsorption energy (ΔG*H) of Cu(s,s), thus leading to...
Article
Promoting the intrinsic activity and accessibility of basal plane sites in transition metal dichalcogenides (TMDs) is an important way to optimize their catalytic performance for energy conversion and storage. Here, a simple liquid-phase phosphating selenization pyrolysis method is developed to prepare P and Se co-doped niobium disulfide (NbS2) 3D...
Chapter
In the greater part of nanotubes materials, a combination of structure, topology, and dimension makes a large group of physical properties such as mechanical, magnetic, thermal, and electrochemical that is resembled by barely any known materials. A short rundown will be given of the astonishing structural and electronic properties of carbon nanotub...
Preprint
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In materials science, replicating superconductivity in chemical compositions with a cuprate-like structure is a long-sought research quest. Recently it was successfully realised in the superconducting infinite-layer nickelates. Although differing from cuprates in electronic and magnetic properties, strong Coulomb interactions suggest infinite-layer...
Article
Perovskite oxides have emerged as promising candidates for the oxygen evolution reaction (OER) electrocatalyst due to their flexible lattice structure, tunable electronic structure, superior stability, and cost-effectiveness. Recent research studies have mostly focused on the traditional methods to tune the OER performance, such as cation/anion dop...
Article
Electrocatalysis is vital for the development of the future hydrogen economy, highlighting the critical significance of the macro-preparation of nanostructured electrocatalysts. Herein, a fast micro–nano liquid layer induced construction (MLC) strategy is proposed, ensuring a tenfold increase in electrode size with almost negligible heat consumptio...
Article
The exploration towards cost-effective filler metal for ceramics joining has always been the key issues for ceramics joining. Herein, we reveal that the Al metal prefers to spread on the ZrO2 based ceramic under the air heating condition, due to the geometric limit effects by in-situ formed dense Al2O3 surface. Inspired by this, the joining of ZrO2...
Preprint
Full-text available
The interfacial behaviors of the filler metal and base material have always been the key issues for ceramics joining. Herein, we reveal that the Al metal prefers to spread on the ZrO 2 based ceramic under the air heating condition, due to the geometric limit effects by in-situ formed dense Al 2 O 3 surface. Inspired by this, the joining of ZrO 2 ba...
Article
Interface structures and behaviors are omnipresent in heterogeneous materials joining. Herein, we reveal that the third alloying element (typically Ti and In) would exert obvious effects not only on the interfacial structure between base material and filler, but also on the phase boundary properties of the main solid solution in the filler. The int...
Article
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As an important member of cadmium-based halides, two-dimensional (2D) CdI 2 has drawn widespread attention due to its excellent optoelectronic properties. However, the large-size growth of ultrathin CdI 2 flakes remains a huge challenge. Here, a facile hot plate-assisted vapor deposition (HPVVD) method is developed to synthesize submillimeter ultra...
Article
Xylene (C8H10) is one of the most hazardous volatile organic compounds, thus highly sensitive gas sensor with real-time monitoring capabilities at lower concentration level is crucial. Hollow and multi-shelled oxide nanostructures are very promising design options for gas sensors due to their low density, high surface area and well-aligned nano-por...
Article
Single atom catalysts (SACs) have become the research hotspot on account of the maximum usage of the metal atom and have exhibited preferable catalytic activity. As a new allotrope of carbon, graphdiyne (GDY) has been proposed to be a potential substrate for SACs. CO oxidation on GDY embedded with Ni and Cu atoms (Ni-GDY and Cu-GDY), as a prototype...
Article
This work describes a coordination enabled galvanic replacement method to decorate atomic Ni clusters on defect-rich Cu surface to provide the first Ni/Cu bimetallic system that significantly enhances the production of C2 products from electrocatalytic CO2 reduction. Specifically, with a surface Ni/Cu ratio of 0.82%, a 7-fold increase in the select...
Article
Developing inexpensive and earth-abundant materials instead of precious metal Pt has broad applications in the production of hydrogen through electrolysis of water. Herein, a series of ternary Fe1-xCoxS2 nanoparticles hybridized with reduced graphene oxide (RGO) (Fe1-xCoxS2/RGO) have been synthesized by a facile hot-injection method for hydrogen ev...
Article
Battery-supercapacitor hybrid (BSH) devices are novel energy storage components for configuration engineering, which are receiving increasing attention in recent years. Fe2O3-based materials with wide potential windows are promising negative electrodes in aqueous electrolytes. However, Fe2O3-based negative electrodes exhibiting more than 90% rate c...
Article
Double perovskite oxides are useful electrode materials in supercapacitors. However, adopting their special structures to improve the electrochemical performances of supercapacitor electrodes is still challenging. In this study, hollow spherical porous La2CoMnO6 (HS-LCMO) materials were prepared using carbon spheres as template impregnation followe...
Article
Hematite (Fe2O3) is a well-known oxide semiconductor suitable for photoelectrochemical (PEC) water splitting and industry gas sensing. It is widely known that Sn doping of Fe2O3 can enhance the device performance, yet the underlying mechanism remains elusive. In this work, we determine the relationship between electronic structure, optical properti...
Article
Hierarchical CoFe2O4 double-shelled hollow spheres (DHSs) with wrinkled porous surfaces are successfully synthesized via a self-templating strategy followed by a simple post-annealing process. The crystallinity, morphology, and microstructure of CoFe2O4 DHSs are detailedly characterized. The as-prepared CoFe2O4 DHSs are composed of homogeneous prim...
Article
NiCo2S4 (NCS) is a ternary spinel sulfide widely applied in supercapacitors and hybrid supercapacitors. Several electrochemical reaction formulas have so far been proposed in last decade. However, the energy storage mechanism and electrochemical behavior of NCS in alkaline electrolytes are still not fully understood. In this study, the interactions...
Article
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GaAs has been demonstrated to be a promising material for manufacturing semiconductor light-emitting devices and integrated circuits. It has been widely used in the field of aerospace, due to its high electron mobility and wide band gap. In this study, the structural and photoelectric characteristics of Si-doped GaAs under different gamma irradiati...
Article
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BiVO4 is known for its ability to decompose water under visible light irradiation. However, BiVO4 overall suffers from rapid recombination of photogenerated carriers, low photochemical conversion efficiency, low specific surface area, poor conductivity, and weak adsorption capacity of dye. These features limited its application in photocatalysis. I...
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A new strategy for incorporating oxygen vacancies into electrodes under aerobic conditions is realized by Shuzhou Li, Xiaodong Chen, and co‐workers, as described in article number 1906156, by applying interfacial lattice strain via surface coating, using TiO2(B) as a model system. The obtained oxygen‐deficient electrode exhibits an impressively hig...
Article
The unique SnO2 triple-shelled hollow cages with well-defined cubic shape have been successfully prepared via additional deposition of polycrystalline SnO2 on hybrid Zn2SnO4/SnO2 double-shelled nanotemplates followed by removal of Zn2SnO4. The structural characterization demonstrates that SnO2 triple-shelled hollow cubes (THCs) are hierarchically c...
Article
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Oxygen vacancies play crucial roles in defining physical and chemical properties of materials to enhance the performances in electronics, solar cells, catalysis, sensors, and energy conversion and storage. Conventional approaches to incorporate oxygen defects mainly rely on reducing the oxygen partial pressure for the removal of product to change t...
Article
Compared to traditional type II heterojunction photocatalyst (Cu2O/BiVO4), bulk BiVO4 was modified in this study by reduced graphene oxide (RGO) with Schottky structure to optimize the coupling interface of BiVO4. Cu2O nanoparticles were then grown in situ on RGO/BiVO4 surface to yield a heterojunction structure with internal electric field, allowi...
Article
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With the maximum atom‐utilization efficiency, single atom catalysts (SACs) have attracted great research interest in catalysis science recently. To address the following key challenges for the further development of SACs: i) how to stabilize and avoid the aggregation of SACs, ii) how to enhance the specific surface area and conductivity of supports...
Article
Geometrical and electronic configurations of the sulfur mustard (2, 2′-dichlorodiethyl sulfide, SM) adsorbed on the pristine and the Pt-decorated graphene have been examined using ab initio calculations. The adsorption energies are calculated to be 0.510 and 1.995 eV for the most stable adsorption configurations of SM on pristine and Pt-decorated g...
Article
Palladium (Pd) is a versatile and active catalyst in various electrochemical applications. However, strong Pd-H bonding makes the H desorption become the rate-limiting step in hydrogen evolution reaction (HER) processes. Engineering material structures at the atomic level attracts a growing interest to tune the physicochemical properties and modula...
Article
CuWO4 is an n-type oxide semiconductor with a bandgap of 2.2 eV which exhibits great potential for photoelectrochemical (PEC) conversion of solar energy into chemical fuels. However, the photocurrent achieved so far is limited to ~ 0.3 mA/cm2 at +1.23 V vs reversible hydrogen electrode (RHE). Possible limiting factors include slow surface reaction...
Article
A new type of nonspherical hollow nanocubes functionalized with well-aligned rodlike building blocks have been successfully prepared via a facile one-pot hydrothermal approach in case of SnO2. The structural and morphological characterization reveals that the dense rodlike SnO2 subunits are vertically distributed on all of the six equivalent facets...
Article
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Dual-layer and tri-layer broadband antireflective (AR) films with excellent transmittance were successfully fabricated using base-/acid-catalyzed mixed sols and propylene oxide (PO) modified silica sols. The sols and films were characterized by scanning electron microscope (SEM), Fourier transform infrared spectroscopy (FTIR), nuclear magnetic reso...
Article
Surface modification of nanostructured catalysts is fundamental in accelerating sluggish oxygen evolution reaction (OER). Herein we demonstrate that nanostructured Nickel Selenide (NiSe2) exhibits excellent capability for OER owing to the high compatibility between (200) plane and alkaline solution. The dendrite-like nickel selenide achieves a spec...
Article
Capacitive energy storage is distinguished from other types of electrochemical energy storage by short charging times, long life cycles, and ability to deliver significantly more power densities than batteries. In this study, Ca-doped perovskite lanthanum manganites (La1-xCaxMnO3, LCMs) were prepared by sol-gel method and used as electrode material...
Article
Bismuth ferrite BiFeO3 (BFO) is an important ferroelectric material for thin-film optoelectronic sensing and potential photovoltaic applications. Its relatively large band gap, however, limits the conversion efficiency of BFO absorber-based PV devices. In this study, based on density functional theory calculations we demonstrate that with well-desi...
Article
Design and controllable synthesis of hollow multilayered “sandwich” nanostructures offer opportunities for metal oxides to buffer the volume expansion and aggregation from coalescing into bulks, while realizing the improved tap density and superior ion transport. We report the intentional construction of Fe2O3 nanorod-assembled layers to cover and...
Article
Understanding the energetics at the interface including the alignment of valence and conduction bands, built-in potentials, and ionic and electronic reconstructions, is an important challenge in designing oxide interfaces that have controllable multi-functionalities for novel (opto-)electronic devices. In this work, we report detailed investigation...
Article
Pd-loaded SnO2 hollow microspheres have been successfully prepared via a facile one-pot hydrothermal route and subsequent Pd-loaded treatment without involving any templates, surfactants, or capping agents. The morphological and structural characterization confirms that Pd-loaded SnO2 hollow microspheres are hierarchically constructed of numerous w...
Article
Pure and Pd-loaded SnO2 cubic nanocages with hierarchically nanoparticle-assembled and porous shells have been successfully fabricated through a straightforward multi-step route. The synthetic step-dependent structure evolution and the formation mechanism have been discussed. Furthermore, the toluene-sensing performances of these Pd-loaded SnO2 nan...
Article
We successfully fabricated a ternary hybrid of meso-TiO2/RGO/CdS via an efficient electrostatic selfassembly approach and photo-assisted treatment. In the illumination process, GO nanosheets were reduced to RGO and simultaneously, CdS nanoparticles were uniformly loaded onto the surface of the meso-TiO2/RGO. Compared with bare meso-TiO2 (unitary co...
Article
N, S co-doped graphene quantum dots (N, S-GQDs) -reduced graphene oxide- (rGO) -TiO2 nanotubes (TiO2NT) composites were prepared by a facile alkaline hydrothermal reaction and physical stirring process. The apparent rate constant of the N, S-GQDs+10%rGO + TiO2NT composite, exhibiting the highest photodegradation efficiency, is 1.8 times and 16.3 ti...
Article
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An examination of the effect of B- and P-doping and codoping on the electronic structure of anatase TiO2 by performing density functional theory calculations revealed the following: (i) B- or P-doping effects are similar to atomic undercoordination effects on local bond relaxation and core electron entrapment; (ii) the locally entrapped charge adds...
Article
A new type of nonspherical yolk-shell structures in the case of SnO2 has been successfully prepared by a simple anneal-etching strategy without employing any additional templates or capping agents. The morphological and structural characterization reveals that SnO2 yolk-shell particles have a hierarchical architecture with penetrable multi-walled s...
Article
The unusual ability of nitrogen in functionalizing transition metals has tremendous implications to the nitride compounds for chemical, electronic, optical, mechanical, and tribological applications yet a consistent insight into the underneath mechanism remains yet a challenge. A combination of the density function theory and photoelectron spectros...
Article
The adsorption and diffusion of carbon atom on Cu (111) and (100) surfaces have been investigated based on first-principles density-functional theory. For Cu (111) surface, the hexagonal close-packed and face-centered cubic sites are the most stable sites with little energy difference in the adsorption energy. For Cu (100) surface, the hollow site...
Article
The adsorption and doping of Pd atom on graphene have been investigated using density-functional theory. The structure, binding energy, Mulliken population, and density of states of Pd-graphene systems are calculated. For the adsorbed graphene, the bridge site is the most favorable adsorption site. The adsorbed and doped Pd atom can stay stably on...
Article
The geometrical and electronic structures of pure graphene and S-doped graphene have been investigated using plane wave pseudopotential method with generalized gradient approximation based on the density functional theory. The local structure change, Mulliken population, density of states, and electron density difference of S-doped graphene have be...
Article
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The geometrical structures, the electronic structures, and the NH3 adsorption properties of pure and B-doped graphene have been investigated using density-functional theory. The density of states (DOS) of pure and B-doped graphene, the adsorption configurations and the adsorption energies of NH3 adsorbed on pure and B-doped graphene, and the charge...

Citations

... The slope line present in the low-frequency region of Nyquist plot indicates Warburg impedance displaying the diffusion process and the slope line toward 45°indicates the faster diffusion of electrolyte ions. 65,66 However, the slope line of KOH in Mn 3 O 4 @N-doped C toward 45°indicates the more capacitive nature and faster diffusion of OH − electrolyte ions on the electrode surfaces than the other electrolyte solution. The small depressed circle shows the charge-transfer resistance (R ct ) of the electrocatalytic materials. ...
... This renewed attention stems from their prospective uses, which range from serving as electrodes for hydrogen generation via photoelectrochemical (PEC) water splitting to functioning as transparent conductive oxides in optoelectronic devices. Additionally, these compounds are being explored for their potential roles in spintronic and ferroelectric devices [42][43][44][45][46][47][48]. ...
... A double perovskite material with excellent magnetic and electronic properties, such as La 2 B'MnO 6 (B′ = Ni, Co, Cr or other transition elements) has attracted much attention in the field of energy storage [18]. Meng [20]. Singh and et al. synthesized hydrothermally double perovskite mesoporous La 2 CrMnO 6 structure as an efficient electrode material for energy storage applications. ...
... Computed from GCD curves, figure 9(b), the specific capacitance of the AC electrode was found to be 68. 1, 57.9, 45.2, 36.7, and 24.2 Fg −1 at current density of 1.5, 2, 3, 5, and 7 mAcm −2 , respectively. Thus activated carbon may be employed as a suitable negative electrode with a high specific capacitance [51][52][53]. In the case of ASCs, it is imperative that the charges that are accumulated at the positive and negative sites be equalised; specifically, q + must equal q − . ...
... Superconductivity is a quantum phenomenon characterized by zero-resistivity and diamagnetism [1][2][3]. Superconductors showing a high transition temperature, T c , are of great interest for scientific research and technological applications [4,5]. In 1911, Onnes discovered that Hg becomes a superconductor for temperatures below 4.2 K [6]. ...
... Second, the electron pockets contributed by the R-5d (R=Nd, La) degrees of freedom in the parent compounds occupy a small part of the Brillouin zone 40 , having a minor impact on the low-energy physics in the hole-doped case and can be neglected 29,31,35,41 . Furthermore, DMFT calculations indicate that in Srdoped NdNiO 2 superconductors with Sr doping not exceeding 30%, holes primarily reduce the occupancy of the Ni-3d x 2 −y 2 and Nd-5d bands 42,43 , essentially rendering the system as a single Ni-3d x 2 −y 2 orbital. Therefore, given consideration of electronic correlation effects, the single-band Hubbard model is sufficient to capture the low-energy physical properties of NdNiO 2 within an appropriate doping range. ...
... The p-n heterojunction between Co 3 O 4 and ZnO is also an excellent mechanism for achieving suitable results in the sensing improvements of pure Co 3 O 4 generated by the electronic transition in these materials [31][32][33]. Shi et al. reported the synthesis of ZnO@Co 3 O 4 hollow cubes by MOF as the precursor for high-response detection of toluene [34]. Yan et al. presented MOF-derived hollow Co 3 O 4 @ZnO cages and its application for trimethylamine detection with good performance in sensitivity and low response/recovery time [35]. ...
... oxides are commonly utilized as catalysts in alkaline electrolysis for the water HER. 70,71,74 Ling Yuan et al. 75 achieved activated catalysts through an in situ surface reconstruction process on a composite material consisting of cobalt carbonate and cobalt oxide (TiO 2 @CoCH). This in situ reconstruction process induced roughness on the smooth TiO 2 @CoCH surface and generated Co interstitial defects within TiO 2 , thereby promoting the Volmer step. ...
... Although the specific surface area of Co 3 O 4 /ZnO-2 is smaller than that of ZnO, the Co 3 O 4 / ZnO-2 samples owned more chemisorbed oxygen and oxygen vacancies, which may provide more available surface area and facilitate the redox reactions. Consequently, the response of the sensor is remarkably improved and Co 3 O 4 /ZnO-2 is proved to be an ideal sensor [14]. ...
... The first electronic publication of carbon nanotubes was done by Iijima (1991). They are nanometer-scale structures made up of a combination of one or more graphene sheets twisted to form cylindrical shapes that measure over 20 mm long and less than about 100 nm in diameter (Aligayev et al., 2022). There are two types of carbon nanotubes: The multi-walled carbon nanotubes (MWCNTs) have more than one graphene sheet, whereas single-wall carbon nanotubes (SWCNTs) contain only one graphene sheet. ...