Hydrogen Bonds and In situ Photoinduced Metallic Bi⁰/Ni⁰ Accelerating Z‐Scheme Charge Transfer of BiOBr@NiFe‐LDH for Highly Efficient Photocatalysis

Angewandte Chemie International Edition, Год журнала: 2024, Номер 63(41)

Опубликована: Июль 8, 2024

For heterojunction system, the lack of stable interfacial driving force and definite charge transfer channel makes separation efficiency unsatisfactory. The photoreaction mechanism occurring at interface also receives less attention. Herein, a 2D/2D Z-scheme junction BiOBr@NiFe-LDH with large-area contact featured by short hydrogen bonds strong electric field (IEF) is synthesized, in situ photoinduced metallic species assisting demonstrated. between O atoms from BiOBr H NiFe-LDH induce significant redistribution, establishing robust IEF. Notably, during photocatalytic reaction, Bi

Язык: Английский

---

Construction of novel PG/GeP2 and PG/SiP2 vdW heterostructures for high-efficiency photocatalytic water splitting

Applied Surface Science, Год журнала: 2022, Номер 608, С. 155106 - 155106

Опубликована: Сен. 30, 2022

Язык: Английский

---

Recent Progress in Fabrication and Application of BN Nanostructures and BN-Based Nanohybrids

Nanomaterials, Год журнала: 2022, Номер 12(16), С. 2810 - 2810

Опубликована: Авг. 16, 2022

Due to its unique physical, chemical, and mechanical properties, such as a low specific density, large surface area, excellent thermal stability, oxidation resistance, friction, good dispersion enhanced adsorbing capacity, interlayer shear force, wide bandgap, hexagonal boron nitride (

Язык: Английский

---

Electronic properties and photocatalytic water splitting with high solar-to-hydrogen efficiency in a hBNC/Janus WSSe heterojunction: First-principles calculations

Physical review. B./Physical review. B, Год журнала: 2023, Номер 107(15)

Опубликована: Апрель 20, 2023

Currently, designing and exploring a photocatalyst with an interfacial electric field for hydrogen production from water splitting is crucial. Hence, based on first-principles calculations, we first calculate the electronic properties of two-dimensional hexagonal boron nitride (hBN)/Janus WSSe heterojunction. However, inherent energy band conformational defects hBN/Janus heterojunction inhibit efficiency photocatalytic. To solve this problem, doped $\mathrm{C}=\mathrm{C}$ bonds monolayer hBN to tune gap. The research shows that transition traditional type-I alignment type-II can be achieved through different contracting methods between carbon (hBNC) Janus WSSe. Notably, hBNC/SWSe direct Z-scheme has high carrier mobility. Compared hBNC/SeWS heterojunction, higher reduction reaction overpotential (${\ensuremath{\chi}}_{{\mathrm{H}}_{2}}=2.56\phantom{\rule{0.28em}{0ex}}\mathrm{eV}$) oxidation (${\ensuremath{\chi}}_{{\mathrm{O}}_{2}}=0.83\phantom{\rule{0.28em}{0ex}}\mathrm{eV}$) under acidic conditions. Furthermore, quantum solar (33.31%). Gibbs free calculations confirm both evolution are exothermic reactions proceed spontaneously external potential provided by photogenerated carriers. These results suggest applications in visible-light-driven splitting.

Язык: Английский

---

2D Monolayer Catalysts: Towards Efficient Water Splitting and Green Hydrogen Production

Chemistry - A European Journal, Год журнала: 2024, Номер 30(23)

Опубликована: Фев. 1, 2024

A viable alternative to non-renewable hydrocarbon fuels is hydrogen gas, created using a safe, environmentally friendly process like water splitting. An important role in water-splitting applications played by the development of two-dimensional (2D) layered transition metal chalcogenides (TMDCs), carbides (MXenes), graphene-derived 2D nanomaterials, phosphorene, and hexagonal boron nitride. Advanced synthesis methods characterization instruments enabled an effective application for improved electrocatalytic splitting sustainable production. Enhancing active sites, modifying phase electronic structure, adding conductive elements metals, forming heterostructures, altering defect state, etc., can improve catalytic activity stacked hybrid monolayer nanomaterials. The majority global research focused on finding safer substitutes petrochemical fuels, this review summarizes recent advancements field nanomaterials industrial-scale green production fuel cell applications.

Язык: Английский

---

Direct S-scheme SnS2/BN heterojunction: A promising photocatalyst for overall water splitting

Applied Surface Science, Год журнала: 2025, Номер unknown, С. 162887 - 162887

Опубликована: Март 1, 2025

Язык: Английский

---

Comprehensive insights into molecular simulation-driven advances in functional materials for pollutant mitigation

Coordination Chemistry Reviews, Год журнала: 2025, Номер 534, С. 216580 - 216580

Опубликована: Март 8, 2025

Язык: Английский

---

Toward robust lithium–sulfur batteries via advancing Li₂S deposition

Chemical Science, Год журнала: 2024, Номер 15(21), С. 7949 - 7964

Опубликована: Янв. 1, 2024

The GeS 2 -MoS /rGO heterostructure is designed as a sulfur host to facilitate the conversion of polysulfides and advance deposition Li S synergistically by strengthening hybrid current during cycling.

Язык: Английский

---

Adsorption of NO₂, NO, NH₃, and CO on Noble Metal (Rh, Pd, Ag, Ir, Pt, Au)-Modified Hexagonal Boron Nitride Monolayers: A First-Principles Study

Langmuir, Год журнала: 2023, Номер 40(1), С. 1058 - 1071

Опубликована: Дек. 26, 2023

To investigate the application of modified hexagonal boron nitride (h-BN) in detection and monitoring harmful gases (NO2, NO, NH3, CO), first-principles calculations are applied to study geometric structure electronic behavior adsorption system. In this paper, four sites, namely, B, N, bridge, hollow considered explore stable metals (M = Rh, Pd, Ag, Ir, Pt, Au) on BN surface. The calculation results demonstrate that structures metal at N-site relatively stable. Subsequently, different NO2, CO M-BN researched. electron transfer, charge difference density, work function calculated. show have strongest capacity Ir-BN system, with energies −2.705, −5.064, −3.757 eV, respectively. Pt-BN system has an excellent performance (−2.251 eV) for NH3. Compared increases after adsorbing while it decreases This shows h-BN modification is a potential material online gases.

Язык: Английский

---

S–scheme TiO2/ZnS heterojunction as dual-reaction sites: A high–efficiency and spontaneous photocatalyst for hydrogen production under light irradiation

Vacuum, Год журнала: 2023, Номер 210, С. 111906 - 111906

Опубликована: Фев. 11, 2023

Язык: Английский

---