引 言

纳米理论研究是专注于在纳米尺度上探索物质的结构、性质、行为及其潜在应用的理论基础。它结合了物理学、化学、材料科学、生物学和工程学等学科的理论方法，旨在理解和预测纳米尺度现象的独特规律，是纳米科学与技术的核心基础。本文整理2023-2025年Nano Research已发表“纳米理论”主题文章69篇，欢迎各位读者审阅！

1 How to build good inverters from nanomaterial-based transistors

Pengkun Sun, Nan Wei*, Panpan Zhang, Yingjun Yang, Maguang Zhu, Huiwen Shi, Lian-Mao Peng, Zhiyong Zhang*

https://www.sciopen.com/article/10.1007/s12274-023-5678-y

2 Modeling and optimization of a spherical triboelectric generator

Jens Gravesen, Morten Willatzen*, Jiajia Shao, Zhong Lin Wang

https://www.sciopen.com/article/10.1007/s12274-023-5745-4

3 Applying machine-learning screening of single transition metal atoms anchored on N-doped γ-graphyne for carbon monoxide electroreduction toward C₁ products

Dongxu Jiao, Dantong Zhang, Dewen Wang, Jinchang Fan, Xingcheng Ma, Jingxiang Zhao*, Weitao Zheng*, Xiaoqiang Cui*

https://www.sciopen.com/article/10.1007/s12274-023-5773-0

4 Terminus-immobilization effect on peptide conformations and peptide–peptide interactions

Wendi Luo, Xiaocui Fang, Chen Wang, Yanlian Yang, Bin Tu*, Qiaojun Fang*

https://www.sciopen.com/article/10.1007/s12274-023-5787-7

5 Classical spin liquid state in a rhombic lattice metal-organic framework

Sihua Feng, Chao Wang*, Jiyin Zhao, Xuguang Liu, Chaocheng Liu, Zeming Qi, Lei Chen, Huijuan Wang, Minghui Fan, Hengli Duan*, Wensheng Yan*

https://www.sciopen.com/article/10.1007/s12274-023-6036-9

6 Theoretical screening of cooperative N-bridged dual-atom sites for efficient electrocatalytic nitrogen reduction with remolding insight

Huimei Chen, Yan Yang, Chi Jiao, Zhiwen Zhuo*, Junjie Mao*, Yan Liu*

https://www.sciopen.com/article/10.1007/s12274-023-6140-x

7 Thermal transports in the MXenes family: Opportunities and challenges

Yurui Liu, Yue Wu*, Xinwei Wang*

https://www.sciopen.com/article/10.1007/s12274-024-6763-6

8 Design of artificial biomimetic channels with Na+ permeation rate and selectivity potentially outperforming the natural sodium channel

Zhi Zhu, Yan Zhao, Chao Chang*, Shaojian Yan, Tingyu Sun, Shiyu Gu, Yangmei Li*, Dengsong Zhang, Chunlei Wang*, Xiao Cheng Zeng*

https://www.sciopen.com/article/10.1007/s12274-024-6797-9

9 A switchable high-sensitivity strain sensor based on piezotronic resonant tunneling junctions

Gongwei Hu*, Li Zeng, Fobao Huang*, Shuaiwei Fan, Qiao Chen, Wei Huang*

https://www.sciopen.com/article/10.1007/s12274-024-6932-7

10 Machine learning force field study of carboxylate ligands on the surface of zinc-blende CdSe quantum dots

Haibing Zhang, Bichuan Cao, Lei Huang, Xiaogang Peng, Linjun Wang*

https://www.sciopen.com/article/10.1007/s12274-024-6983-9

11 Chirality inversion via van der Waals interactions to π–π stacking in non-equilibrium assembly within a narrow temperature range

Peiwen Chen, Kuo Fu, Xiangyang Zhang, Shengyin Zhao*, Hongwei Wu*, Guofeng Liu*

https://www.sciopen.com/article/10.26599/NR.2025.94907095

12 Polymorphic signal responses of phase-change quantum dot string upon stochastic resonance

Qin Wan, Fei Zeng*, Ziao Lu, Junwei Yu, Feng Pan

https://www.sciopen.com/article/10.26599/NR.2025.94907088

13 Boost CO₂ electroreduction toward methane and ethanol via two-dimensional antiferromagnetic Mn₂B₇ monolayer

Changyan Zhu, Ao Yang, Xiangyu Guo*, Zhongmin Su, Thomas Frauenheim, Min Zhang*

https://www.sciopen.com/article/10.26599/NR.2025.94907568

14 Precious trimetallic single-cluster catalysts for oxygen and hydrogen electrocatalytic reactions: Theoretical considerations

Xiaochuan Shi, Yongcheng Li*, Shan Zhang, Riming Hu, Shuang Gao, Peipeng Jin, Jiaxiang Shang, Jianglan Shui*

https://www.sciopen.com/article/10.1007/s12274-022-5347-6

15 Anomalies in the short-range local environment and atomic diffusion in single crystalline equiatomic CrMnFeCoNi high-entropy alloy

Alevtina Smekhova*, Daniel Gaertner, Alexei Kuzmin, Ana Guilherme Buzanich, Goetz Schuck, Ivo Zizak, Gerhard Wilde, Kirill V  Yusenko, Sergiy Divinski*

https://www.sciopen.com/article/10.1007/s12274-024-6443-6

16 Theoretical and experimental investigations on single-atom catalysis: Pt₁/FeO_x for water–gas shift reaction

Shan-Fei Wang, Yangyang Li, Haiyan Wang, Jin-Xia Liang*, Chun Zhu*, Botao Qiao*

https://www.sciopen.com/article/10.1007/s12274-024-6655-9

17 Theoretical investigations on hydroxyl carbon precursor fueled growth of graphene on transition metal substrates

Chaojie Yu, Haiyang Liu, Xiaoli Sun*, Jianjian Shi, Zhiyu Jing, Xiucai Sun, Yuqing Song, Wanjian Yin, Guangping Zhang*, Luzhao Sun*, Zhongfan Liu*

https://www.sciopen.com/article/10.1007/s12274-024-6882-0

18 Performance evaluation of homogeneous dual-atom site M2-N6-graphene catalysts for hydrogen evolution reaction

Jing Meng, Letong Feng, Zhaoyang Zhang, Liang Zhang, Xiangwen Liu*, Zhenwei Zhang*, Wenming Sun*

https://www.sciopen.com/article/10.26599/NR.2025.94907004

19 Disentangling the role of wave function overlap, exciton–exciton interaction, carrier confinement and shape in the properties of spherical quantum wells

Marco Califano*

https://www.sciopen.com/article/10.26599/NR.2025.94907162

20 Machine learning driven high-throughput screening of S and N-coordinated SACs for eNRR

Lintao Xu, Yuhong Huang*, Haiping Lin, Xiumei Wei, Fei Ma*

https://www.sciopen.com/article/10.26599/NR.2025.94907289

21 XAFS-based identification of the microscopic chemical environment in single-atom catalysts: Progress, challenges and prospects

Yinjuan Chen*, Xiaohui Zhu, Qinglong Zhou, Chen Zhu, Haoran Xing, Hai Xiao, Hongying Zhuo, Yafei Li*

https://www.sciopen.com/article/10.26599/NR.2025.94907509

22 New insight into pyrrolic-N site effect towards the first NIR window absorption of pyrrolic-N-rich carbon dots

Fitri Aulia Permatasari, Reza Umami, Citra Deliana Dewi Sundari, Tirta Rona Mayangsari, Atthar Luqman Ivansyah, Fahdzi Muttaqien, Takashi Ogi, Ferry Iskandar*

https://www.sciopen.com/article/10.1007/s12274-022-5131-7

23 Physical mechanisms of contact-electrification induced photon emission spectroscopy from interfaces

Yang Nan, Jiajia Shao, Ding Li, Xin Guo, Morten Willatzen*, Zhong Lin Wang*

https://www.sciopen.com/article/10.1007/s12274-023-5674-2

24 Emergence of charge density wave and Ising superconductivity in centrosymmetric monolayer 1T-HfTe₂

Dawei Wang, Jizheng Wu, Chen Si*

https://www.sciopen.com/article/10.1007/s12274-023-5780-1

25 Influence of structural defects on charge density waves in 1T-TaS₂

Iaroslav Lutsyk, Karol Szalowski*, Pawel Krukowski, Pawel Dabrowski, Maciej Rogala, Witold Kozlowski, Maxime Le Ster, Michal Piskorski, Dorota A

https://www.sciopen.com/article/10.1007/s12274-023-5876-7

26 An interesting synergistic effect of heteronuclear dual-atom catalysts for hydrogen production: Offsetting or promoting

Zhonghao Wang, Wei Tang, Jialin Liu, Gang Zhou*

https://www.sciopen.com/article/10.1007/s12274-024-6436-5

27 Two-dimensional lateral magnetic tunnel junction with ultrahigh tunneling magnetoresistance

Qiu-Qiu Li, Zhi-Fu Duan, Wen-Wen Liu, Rong Yang*, Bo Li*, Ke-Qiu Chen*

https://www.sciopen.com/article/10.26599/NR.2025.94907188

28 Influence of structural defects on charge density waves in 1T-TaS₂

Iaroslav Lutsyk, Karol Szalowski*, Pawel Krukowski, Pawel Dabrowski, Maciej Rogala, Witold Kozlowski, Maxime Le Ster, Michal Piskorski, Dorota A Kowalczyk, Wojciech Rys, Rafal Dunal, Aleksandra Nadolska, Klaudia Toczek, Przemyslaw Przybysz, Ewa Lacinska, Johannes Binder, Andrzej Wysmolek, Natalia Olszowska, Jacek J Kolodziej, Martin Gmitra, Takuma Hattori, Yuji Kuwahara, Guang Bian, Tai-Chang Chiang, Pawel J  Kowalczyk*

https://www.sciopen.com/article/10.1007/s12274-023-5876-7

29 Intrinsic spin Hall resonance in Bi-based Janus monolayers

Lei Sun, Xikui Ma*, Jian Liu, Yangyang Li, Mingwen Zhao*

https://www.sciopen.com/article/10.1007/s12274-023-5908-3

30 Molecular design for enhanced spin transport in molecular semiconductors

Tingting Yang, Yang Qin, Xianrong Gu*, Xiangnan Sun*

https://www.sciopen.com/article/10.1007/s12274-023-5989-z

31 The d-orbital regulation of isolated manganese sites for enhanced oxygen evolution

Xue Bai, Jingyi Han, Xiaodi Niu*, Jingqi Guan*

https://www.sciopen.com/article/10.1007/s12274-023-5859-8

32 Pd/N-doped carbon dots@dendritic mesoporous silica nanospheres: A highly efficient catalyst for the hydrogenation of 4-nitrophenol

Weiruo Liu, Yanbin Zhu, Jiwei Wang, Haisong Feng*, Yunpu Zhai*, Wei Li, Dongyuan Zhao

https://www.sciopen.com/article/10.1007/s12274-024-6809-9

33 Machine learning driven high-throughput screening of S and N-coordinated SACs for eNRR

Lintao Xu, Yuhong Huang*, Haiping Lin, Xiumei Wei, Fei Ma*

https://www.sciopen.com/article/10.26599/NR.2025.94907289

34 Scale-dependent anomalous behavior of confined water between Al₂O₃ layers

Tianhao Tang, Wenhui Ding, Wanyi Fu, Shengyin Tang*, Xihui Zhang

https://www.sciopen.com/article/10.26599/NR.2025.94907417

35 Selective Pb²⁺ removal and electrochemical regeneration  of fresh and recycled FeOOH

Lei Wang, Lexane Deligniere, Samantha Husmann, Regina Leiner, Carsten Bahr, Shengjie Zhang, Chaochao Dun, Matthew M

https://www.sciopen.com/article/10.1007/s12274-023-5569-2

36 Excitation-assisted pseudo-ferroelectric effect in ultrathin graphene/phosphorene heterostructure

Huan Lu, Wanlin Guo*

https://www.sciopen.com/article/10.1007/s12274-023-5649-3

37 Optimizing geometric configuration of single Zn-N₄ sites for boosting reciprocal transformation between aromatic alcohols and aldehydes

Shengjie Wei*, Yucheng Jin, Chunlin Lv*, Chao Lian, Zheng Chen, Xiao Liang, Qinghua Zhang, Xin Chen, Dongdong Qi, Zhi Li

https://www.sciopen.com/article/10.1007/s12274-023-5748-1

38 The d-orbital regulation of isolated manganese sites for enhanced oxygen evolution

Xue Bai, Jingyi Han, Xiaodi Niu*, Jingqi Guan*

https://www.sciopen.com/article/10.1007/s12274-023-5859-8

39 Heteroatom doping regulates the catalytic performance of single-atom catalyst supported on graphene for ORR

Ji-Kai Sun, Yu-Wei Pan, Meng-Qian Xu, Lei Sun, Shaolong Zhang*, Wei-Qiao Deng, Dong Zhai*

https://www.sciopen.com/article/10.1007/s12274-023-5898-1

40 How the microenvironment dominated by the distance effect to regulate the FeN₄ site ORR activity and selectivity?

Peng Li, Qingfeng Guo, Jianrui Zhang*, Ruilin Chen*, Shujiang Ding, Yaqiong Su*

https://www.sciopen.com/article/10.1007/s12274-024-6414-y

41 An interesting synergistic effect of heteronuclear dual-atom catalysts for hydrogen production: Offsetting or promoting

Zhonghao Wang, Wei Tang, Jialin Liu, Gang Zhou*

https://www.sciopen.com/article/10.1007/s12274-024-6436-5

42 Superatom-assembled boranes, carboranes, and low-dimensional boron nanomaterials based on aromatic icosahedral B₁₂ and C₂B₁₀

Qiao-Qiao Yan, Yan-Fang Wei, Qiang Chen*, Yue-Wen Mu*, Si-Dian Li*

https://www.sciopen.com/article/10.1007/s12274-024-6609-2

43 Pd/N-doped carbon dots@dendritic mesoporous silica nanospheres: A highly efficient catalyst for the hydrogenation of 4-nitrophenol

Weiruo Liu, Yanbin Zhu, Jiwei Wang, Haisong Feng*, Yunpu Zhai*, Wei Li, Dongyuan Zhao

https://www.sciopen.com/article/10.1007/s12274-024-6809-9

44 sp² to sp³ hybridization transformation in 2D metal-semiconductor contact interface suppresses tunneling barrier and Fermi level pinning simultaneously

Wenchao Shan, Anqi Shi, Zhuorong Zhong, Xiuyun Zhang, Bing Wang*, Yongtao Li*, Xianghong Niu*

https://www.sciopen.com/article/10.1007/s12274-024-6877-x

45 Theoretical studies of nitrogen-doped graphene loaded transition metal single-atom catalysts for electrochemical CO reduction

Yongze Gao, Shamraiz Hussain Talib, Qi Yu*

https://www.sciopen.com/article/10.26599/NR.2025.94907026

46 Tailoring the d-band electronic structure of FePc by direct oxygen bridge on ZIF-8 derived ultrathin carbon shell to improve the oxygen reduction performance

Xilin Zhang, Shan Wang, Zhiyi Sun, Zhongjun Ma, Huixuan Wang, Zongxian Yang*, Qingfang Chang*, Wenxing Chen*

https://www.sciopen.com/article/10.26599/NR.2025.94907235

47 Enhanced N₂ electroreduction activity of single-atom catalysts: Modulating the linear scaling relationship by coordination engineering and dual-site strategies

Renyi Li, Caimu Wang, Jiao Zhang, Wei Guo*

https://www.sciopen.com/article/10.26599/NR.2025.94907212

48 TiO₂-supported Ni₄ quadruple-atom catalyst: A promising few-atom catalyst with high atomic utilization

Furui Chen, Guangce Zhao, Gang Zhou*

https://www.sciopen.com/article/10.26599/NR.2025.94907293

49 Machine learning driven high-throughput screening of S and N-coordinated SACs for eNRR

Lintao Xu, Yuhong Huang*, Haiping Lin, Xiumei Wei, Fei Ma*

https://www.sciopen.com/article/10.26599/NR.2025.94907289

50 Roles of coordination combinations in the performance and application of Pd₁/C₃N single-atom catalysts: A design for multifunctional catalysts from first-principles

Wei Tang, Gang Zhou*

https://www.sciopen.com/article/10.26599/NR.2025.94907491

51 XAFS-based identification of the microscopic chemical environment in single-atom catalysts: Progress, challenges and prospects

Yinjuan Chen*, Xiaohui Zhu, Qinglong Zhou, Chen Zhu, Haoran Xing, Hai Xiao, Hongying Zhuo, Yafei Li*

https://www.sciopen.com/article/10.26599/NR.2025.94907509

52 Highly selective synthesis of Kagome–honeycomb assembled lattice composed of N-doped macrocycles on surfaces

Lei Hu, Tianchen Qin, Tian Ma, Baiyao Liang, Yating Zhang, Weishan Yang, Jun Hu, Qian Xu, Honghe Ding*, Dezhou Guo*, Junfa Zhu*

https://www.sciopen.com/article/10.26599/NR.2025.94907458

53 Angle-resolved polarized Raman spectroscopy study of phosphorene nanoribbons

Yog Karki, Huda Aljeailan, Mohammed Irziqat, Hiruni Weerahennedige, Hui Wang, Badri Narayanan, Gamini Sumanasekera, Ming Yu*, Jacek B  Jasinski*

https://www.sciopen.com/article/10.26599/NR.2025.94907547

54 Pd/N-doped carbon dots@dendritic mesoporous silica nanospheres: A highly efficient catalyst for the hydrogenation of 4-nitrophenol

Weiruo Liu, Yanbin Zhu, Jiwei Wang, Haisong Feng*, Yunpu Zhai*, Wei Li, Dongyuan Zhao

https://www.sciopen.com/article/10.1007/s12274-024-6809-9

55 Pd/N-doped carbon dots@dendritic mesoporous silica nanospheres: A highly efficient catalyst for the hydrogenation of 4-nitrophenol

Weiruo Liu, Yanbin Zhu, Jiwei Wang, Haisong Feng*, Yunpu Zhai*, Wei Li, Dongyuan Zhao

https://www.sciopen.com/article/10.1007/s12274-024-6809-9

56 Pd/N-doped carbon dots@dendritic mesoporous silica nanospheres: A highly efficient catalyst for the hydrogenation of 4-nitrophenol

Weiruo Liu, Yanbin Zhu, Jiwei Wang, Haisong Feng*, Yunpu Zhai*, Wei Li, Dongyuan Zhao

https://www.sciopen.com/article/10.1007/s12274-024-6809-9

57 XAFS-based identification of the microscopic chemical environment in single-atom catalysts: Progress, challenges and prospects

Yinjuan Chen*, Xiaohui Zhu, Qinglong Zhou, Chen Zhu, Haoran Xing, Hai Xiao, Hongying Zhuo, Yafei Li*

https://www.sciopen.com/article/10.26599/NR.2025.94907509

58 The d-orbital regulation of isolated manganese sites for enhanced oxygen evolution

Xue Bai, Jingyi Han, Xiaodi Niu*, Jingqi Guan*

https://www.sciopen.com/article/10.1007/s12274-023-5859-8

59 Pd/N-doped carbon dots@dendritic mesoporous silica nanospheres: A highly efficient catalyst for the hydrogenation of 4-nitrophenol

Weiruo Liu, Yanbin Zhu, Jiwei Wang, Haisong Feng*, Yunpu Zhai*, Wei Li, Dongyuan Zhao

https://www.sciopen.com/article/10.1007/s12274-024-6809-9

60 Machine learning driven high-throughput screening of S and N-coordinated SACs for eNRR

Lintao Xu, Yuhong Huang*, Haiping Lin, Xiumei Wei, Fei Ma*

https://www.sciopen.com/article/10.26599/NR.2025.94907289

61 Pd/N-doped carbon dots@dendritic mesoporous silica nanospheres: A highly efficient catalyst for the hydrogenation of 4-nitrophenol

Weiruo Liu, Yanbin Zhu, Jiwei Wang, Haisong Feng*, Yunpu Zhai*, Wei Li, Dongyuan Zhao

https://www.sciopen.com/article/10.1007/s12274-024-6809-9

62 Water’s motions in x–y and z directions of 2D nanochannels: Entirely different but tightly coupled

Shouwei Liao, Qia Ke, Yanying Wei*, Libo Li*

https://www.sciopen.com/article/10.1007/s12274-023-5451-2

63 Neuromorphic nanocluster networks: Critical role of the substrate in nano-link formation

Wenkai Wu, Alexey V  Verkhovtsev, Theodoros Pavloudis, Andrey V  Solov’yov, Richard E  Palmer*

https://www.sciopen.com/article/10.1007/s12274-023-5744-5

64 Enhanced sampling in molecular dynamics simulations and their latest applications—A review

Wenhui Shen, Tong Zhou, Xinghua Shi*

https://www.sciopen.com/article/10.1007/s12274-023-6311-9

65 Designing topological and correlated 2D magnetic states via superatomic lattice constructions of zirconium dichloride

Yang Song, Wen-Han Dong, Kuan-Rong Hao, Shixuan Du, Lizhi Zhang*

https://www.sciopen.com/article/10.1007/s12274-023-6066-3

66 Colloidal nanocrystals: Viable model systems for electronic quantum materials?

Jara F  Vliem, Jesper R  Moes, Ingmar Swart, Daniel Vanmaekelbergh*

https://www.sciopen.com/article/10.1007/s12274-024-6986-6

67 New deltahedral architectures of rhodium-mediated Pn₇³⁻ (Pn = Sb and Bi) cages

Lei Qiao, Chuan-Ling Chen, Zhong-Ming Sun*

https://www.sciopen.com/article/10.26599/NR.2025.94907253

68 Bottom-up approaches to form superatom-assembled 2D few-layered borophanes and carborophanes and 3D α-B₁₂, γ-B₂₈, and B₄C based on icosahedral B₁₂ and CB₁₁

Qiao-Qiao Yan, Wen-Yan Zan, Yue-Wen Mu, Si-Dian Li*

https://www.sciopen.com/article/10.26599/NR.2025.94907288

69 Angle-resolved polarized Raman spectroscopy study of phosphorene nanoribbons

Yog Karki, Huda Aljeailan, Mohammed Irziqat, Hiruni Weerahennedige, Hui Wang, Badri Narayanan, Gamini Sumanasekera, Ming Yu*, Jacek B  Jasinski*

https://www.sciopen.com/article/10.26599/NR.2025.94907547