Home Topics
Topics
Level 1:
CarbonCatalyticEnergyFabricationMaterial compositionMorphologyNano biologyNano detectionNano deviceNano unitSemiconductorSynthesisTheory
Level 2:
ALLComputationElectronMolecular dynamicsQuantum
Level 3:
ALLCalculationsComputation theory Computational fluid dynamics Density functional theoryDynamics Electric field effects Electric fields Electron density measurementElectron energy levels Electron transitions Electronic states Energy gapExcited states Free energy Kinetic theoryKinetics Molecular dynamicsQuantum chemistry Quantum computers Quantum confinement Quantum dot lasers Quantum Hall effectQuantum interference devicesQuantum opticsQuantum theory Quantum yieldSpin orbit couplingSpintronics Van der Waals forces
Research Article | Open Access
Validation of nitrate adsorption energy as an activity descriptor for nitrate electroreduction on single-atom catalysts supported by chiral carbon nanotubes: DFT calculations and machine learning
Xiaofei Song, Xinyu Sui, Baowen He, [...], Xiaoxue Sang, Chi Ding, Yangyang Song, Zean Xie, Yu Ren, Zhen Zhao << Fewer
Available online: 05 August 2026
Research Article | Open Access
High driving current and enhanced gate control in 1-nm gate length type-II ZnO/GaN vdWH field-effect transistor via a constituent-layer-selective doping strategy
Yi Xiang, Le-Jun Wang, Qin Xiang, [...], Hong-Lin Ma, Chun-Ming Yang, Zhi-Qiang Fan, Lei Hu << Fewer
Published: 31 July 2026
2026, 19(10): 94908827
Research Article | Open Access
Dual-mechanism tuned double-walled carbon nanotube cold-cathode for ultrafast electron emission
Songyang Xie, Zheyu Song, Yan Shen, [...], Xueran Zeng, Runze Zhan, Ying Wei, Zhe Liu, Shuai Tang, Yu Zhang, Weiliang Wang, Huanjun Chen, Shaozhi Deng << Fewer
Available online: 13 July 2026
Research Article | Open Access
Cooperation of frustrated Ga···N and Ga···Ga pairs on GaN breaks the linear scaling relationship in propane dehydrogenation
Xi-Yang Yu, Han-Xuan Liu, Han-Tao Cheng, [...], Zheng-Qing Huang, Chun-Ran Chang << Fewer
Published: 05 July 2026
2026, 19(9): 94908714
Research Article | Open Access
Intrinsic room-temperature sliding multiferroicity and magnetoelectric coupling in Cr2S3 layers
Xue Deng, Haojun Zhu, Meifeng Liu, [...], Yan Cao, Qing Yang, Yulin Feng, Sheng Meng << Fewer
Available online: 17 June 2026
Research Article | Open Access
Ligand-engineered layered solid–liquid interfaces enable fast and selective ion transport
Qiangqiang Qiao, Shaowei Li, Bing Liu, [...], Shuai Li, Shihui Zou, Peng Shi, Yujing Liu, Huadong Yuan, Jianmin Luo, Yao Wang, Xinyong Tao, Jianwei Nai << Fewer
Available online: 15 June 2026
Research Article | Open Access
Strain gradient induced vortex-like domain evolution in freestanding ferroelectric membranes
Butong Zhang, Guangming Lu, Wanbo Qu, [...], Guohua Dong, Shishun Zhao, Minye Yang, Guannan Yang, Zhengwei Tao, Bin Peng, Yanan Zhao, Zhongqiang Hu, Zhiguang Wang, Yang Zhang, Haijun Wu, Suzhi Li, Zuo-Guang Ye, Xiangdong Ding, Ming Liu << Fewer
Published: 15 June 2026
2026, 19(7): 94908712
Review Article | Open Access
Insights into DFT-guided synthesis of atomic clusters for electrocatalysis
Hongyu Jing, Peng Zhu, Han Wu, [...], Chang Cui, Nanyu Shao, Xinyi Zhang, Yu Chen, Zihan Zhao, Jiaxin Zhou, Zhen Zhao << Fewer
Published: 08 June 2026
2026, 19(7): 94908519
Review Article | Open Access
Dynamic processes of oxygen reduction reaction: Insights from theoretical simulations and in-situ characterization
Linkai Han, Jiemeng Luo, Yu Sun, [...], Huidi Yu, Yiheng Li, Xiaodan Liu, Xiaoqi Wang, Jianming Li << Fewer
Published: 03 June 2026
2026, 19(7): 94908550
Research Article | Open Access
Efficient single-atom Ru catalysts constructed by ligand engineering-thermal reduction synergy strategy for alkene hydrosilylation
Yu Luo, Xinping Yan, Sen Wang, [...], Yanzhao Dong, Bao Wang, Jinli Zhang, Haiyang Zhang << Fewer
Published: 28 May 2026
2026, 19(7): 94908513
Total 353