帮我检索镍基最新的或比较热的关于计算和实验的文章，最好是考虑电场作用

问题

思考

Addressing the electric field papers

The ChemRev review didn’t open, but I’ll use its abstract snippet for citation. There’s also an ACS JACS Au paper on electric fields, from 2024, which we can mention as a computational methodology. I’ll include other relevant papers, especially on nickel-based systems, as requested. These papers feature NiFe LDH heterojunctions and other advanced materials engineering.

Focusing on nickel-based ammonia synthesis papers

For ammonia synthesis, we’ll primarily keep it to NiO/La2O3 under electric fields and relevant nickel-based catalysts, sticking to the user’s request. For computations, I’ll include DFT studies and related topics like Ni/ZrO2 under fields and electrocatalysis. The user also asked for recent papers – 2024-2026 – and some classics. Let’s cover those.

Preparing citation sections with clarity for the user

We’ll focus on four sections for citations, organized clearly in a bullet list format for readability: A) Most relevant papers from the last year (electric field + nickel-based).
B) Computation-focused studies (DFT/microkinetics).
C) Methods/reviews on field measurement & modeling.
D) Suggested search keywords and abbreviations like BIEF, ELEF, and “electrified catalysis.” We'll add access notes if any sources are restricted.

Organizing citations for sources

To keep things clear and avoid raw URLs, I'll focus on citations:

Field-Enhanced Catalysis perspective, Applied Catalysis B (2026), covering advanced DFT and ML.
External field-assisted catalysis review in eScience (2025), focusing on general approaches.
NiO/La2O3 under electric field for ammonia synthesis, with specific details available.
Hydrogen production from ammonia decomposition over nickel-based catalysts—2024 publication.
Ni3S2@NiFe-LDH for OER, J. Mater. Chem. A (2025).

Organizing nickel-electrochemical field research

I'll summarize recent studies on nickel-based electrocatalysts. Key sources include 2025 papers on modified Ni hydroxide for OER with low overpotentials, NiFe heterojunctions, and dual-field engineering in Ni-Co composites. Several studies also discuss DFT, operando Raman, and methane DRM under external fields. I'll also include a 2016 classic paper for context.

Clarifying experimental vs. computational research

I'll provide an overview of studies that focus on nickel-based electrocatalysts. Some papers combine experiments and DFT, like NiFe LDH or Ni3S2 catalysts. Others may only address experimental results (e.g., ammonia synthesis, methane DRM). For computational suggestions, I’ll mention relevant techniques like grand canonical DFT and dipole layer modeling.

Clarifying directional focus and providing methods

The user likely wants a focus on Ni-based catalysts related to electric fields in catalysis, rather than battery materials. I'll suggest a moderate list with both catalysis and Ni-rich layered cathodes—keeping the electric field reference flexible. For the user’s query, I'll recommend specific search terms and databases (e.g., Web of Science, Google Scholar) and keywords like "BIEF". No UI needed here.

Structuring curated list and future search guidance

I’m going to provide a well-structured response with sections focusing on recent papers related to Ni-based catalysts and electric fields, including both experimental and computational studies. I’ll give specific papers, such as on H2 production and electrified DRM. I'll also suggest effective search strings and databases for future research.

Thought for 4m 46s

回答

下面是我按**“镍基（Ni-based） + 电场作用（外加电场/界面电场/内建电场） + 计算 & 实验结合”这个交集，优先挑的近两年（~2024–2026）**更“热”的文章/综述（截至 2026-03-03）。我把它们按方向分组，方便你快速锁定。

1) 最贴题：电场直接参与/调控的镍基体系（实验 + 计算/机理）

(A) 内建/局域电场（BIEF/ELEF）强化 OER：NiFe-LDH / Ni(OH)₂ 体系

Construction of a cobalt-doped Ni3S2@NiFe-LDH heterojunction with enhanced local electric field for efficient OER — J. Mater. Chem. A (2025)
亮点：提出“增强局域电场（ELEF）→ 带弯曲/电荷转移 → OER 动力学加速”，并用 DFT 佐证中间体吸附能/能垒改变。(RSC Publishing)
Built-in electric field in NiFe-LDH@CoMoO4 heterojunction for large-current OER — Electrochimica Acta（2026，见 DOI）
亮点：用 XPS + Bader charge（通常来自DFT电荷分析） 指向内建电场促进电荷离域、调控反应能面，面向“大电流”场景。(ScienceDirect)
Nitrate–iron co-modification nickel hydroxide with strong built-in electric field for OER —（Chem. Eng. J.? / Elsevier 期刊页面显示为 OER 文章）
亮点：强调异质结构界面产生 BIEF，改善 OH⁻/电子输运；摘要里给了高电流密度下的稳定性数据。(ScienceDirect)
Engineering a built-in electric field in a wood-derived NiFeCo-LDH@NiFe … — J. Mater. Chem. A（2025）
亮点：自支撑电极 + 异质结/内建电场思路，常见配置是“实验表征 + 机理/DFT（若正文包含）”。(RSC Publishing)

(B) 外加电场/电流驱动的氨合成/分解：NiO/La2O3 等

Synthesis of ammonia under an electric field using lanthanum-based catalysts（NiO/La2O3）— Catalysis Today（2025）
亮点：固定床流动反应器里通电/电场辅助，在给定压力与电流条件下实现合成氨；摘要/二次源里有关键操作窗口。(ScienceDirect)
Hydrogen production from ammonia decomposition in electric field over Ni-based La2O3 catalysts —（2024）
亮点：同一条“电场/电流辅助 + Ni基催化剂”的路线，偏应用与机理讨论（电场促进强碱性位/质子迁移等）。(ScienceDirect)

(C) “电气化/电流驱动”甲烷干重整（DRM）：Ni–La2O3 体系很热

Electrified dry reforming of methane on Ni–La2O3–loaded activated carbon: A net CO2-negative reaction — Science Advances（2025-07-11）
亮点：把 DRM 做成“通电驱动/电气化”过程，并讨论与 Ni–La2O3–C 体系相关的反应-材料演化机理；这是近两年该方向的高热度代表。(Nature)
From electric field catalysis to plasma catalysis: A combined experimental and chemical kinetics modeling study（DRM）—（2025，Elsevier）
亮点：把“热/电场/等离子体”并列对比，还配了实验 + 动力学建模，很适合做机理串联与复现实验设计。(ScienceDirect)

(D) 其他“电场工程”镍基材料（更偏材料/电磁）

Dual built-in electric field engineering in heterostructure Ni–Co composites … — Advanced Powder Materials（2025-12）
亮点：双内建电场（dual-BIEF）+ 异质结（半导体结 & Mott–Schottky）+ 理论计算验证 + 微波吸收性能数据。(ScienceDirect)

2) 偏“计算”的代表作：Ni 体系外加电场 DFT / 微观动力学

Mechanistic study of a coke-resistance Ni/ZrO2 catalyst for DRM under external electric fields: DFT + microkinetic — Catalysis Science & Technology（2024）
亮点：非常“教科书式”地把正/负电场对 CH₄ 活化、CO₂ 活化、积碳路径的影响拆开讲，还给了微观动力学结论。(RSC Publishing)
（经典但仍常被引用）Improving Ni Catalysts Using Electric Fields: A DFT and Experimental… — ACS Catalysis（2016）
亮点：少见的“Ni + 外加电场 + DFT 并且配实验”的早期标杆，很多新文章在方法学上会回溯到这类工作。(American Chemical Society Publications)

如果你要把“电场”更严格地纳入电催化计算（恒电位/界面场），下面两篇综述会很有用：

Decoding pH-dependent electrocatalysis through electric field models — J. Mater. Chem. A（2025）（偏理论建模框架）(RSC Publishing)
Field-Enhanced catalysis: Integrating experiment, theory, and ML — Applied Catalysis B（2026-03）（把 KPFM / Stark 光谱 + 先进 DFT（grand canonical 等）+ ML 串起来）(ScienceDirect)

3) 电场调控“镍基量子材料/镍酸盐”（实验很强，兼有计算背景）

Large tuning of the optical properties of nanoscale NdNiO3 via electron doping — Nanophotonics（2025）/ arXiv 预印本（2024-11）
亮点：用**电场驱动离子插层（Li⁺ intercalation）**把 NdNiO3 从金属态切到电子掺杂绝缘态，并做 ToF-SIMS/光学表征；如果你关注“电场门控/离子液体/插层”调相，这是必读。(De Gruyter Brill)

4) 额外推荐：Ni 电化学体系“计算+原位实验”路线（不一定把“电场”写进标题，但本质就是界面场/电位在起作用）

DFT-Guided Operando Raman Characterization of Ni-Based Phases Relevant to Electrochemical Systems — arXiv（2025-07）
亮点：NiO / Ni(OH)2 / NiOOH 多相的 DFT+U + operando Raman + TEM 对照，非常适合做谱峰指认与相演化机理。(arXiv)

5) 给你一组“检索式”直接复用（Google Scholar / Web of Science 都能用）

你可以从这几条开始复制粘贴（按需替换体系）：

("NiFe LDH" OR "Ni(OH)2" OR "NiOOH") AND ("built-in electric field" OR BIEF OR "local electric field" OR ELEF) AND (DFT OR "Bader") AND (OER OR "oxygen evolution")
("NiO/La2O3" OR "Ni/La2O3") AND ("electric field" OR "electrified" OR "current-assisted") AND (ammonia OR NH3)
("dry reforming" OR DRM) AND (nickel OR Ni) AND ("electric field" OR electrified OR electrothermal) AND (model* OR microkinetic OR DFT)
("NdNiO3" OR nickelate) AND ("electric-field" OR gating OR intercalation OR "ionic") AND (optical OR "metal-insulator")

如果你告诉我你更偏向哪一类“镍基”（比如 NiFe-LDH 电催化 / Ni–La2O3 甲烷重整 / NiO-La2O3 氨合成 / NdNiO3 镍酸盐门控），我可以把上面列表再收敛到 10 篇以内并按“实验路线/计算路线/可复现性”给你一个更精准的阅读顺序。

问题

思考