Single atom Ru doping 2H-MoS2 as highly efficient hydrogen evolution reaction electrocatalyst in a wide pH range

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652

Projector augmented-wave method

Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732

ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT

Ravel, B., & Newville, M. G. (2005) · Journal of Synchrotron Radiation · doi:10.1107/s0909049505012719 · Cited by 17,369

Identification of Active Edge Sites for Electrochemical H 2 Evolution from MoS 2 Nanocatalysts

Jaramillo, T. F., Jørgensen, K. P., Bonde, J., Nielsen, J. H., Horch, S., & Chorkendorff, I. (2007) · Science · doi:10.1126/science.1141483 · Cited by 6,100

MoS 2 Nanoparticles Grown on Graphene: An Advanced Catalyst for the Hydrogen Evolution Reaction

Li, Y., Wang, H., Xie, L., Liang, Y., Hong, G., & Dai, H. (2011) · Journal of the American Chemical Society · doi:10.1021/ja201269b · Cited by 5,001

Enhanced Hydrogen Evolution Catalysis from Chemically Exfoliated Metallic MoS 2 Nanosheets

Lukowski, M. A., Daniel, A. S., Meng, F., Forticaux, A., Li, L., & Jin, S. (2013) · Journal of the American Chemical Society · doi:10.1021/ja404523s · Cited by 3,341

Engineering the surface structure of MoS2 to preferentially expose active edge sites for electrocatalysis

Kibsgaard, J., Chen, Z., Reinecke, B. N., & Jaramillo, T. F. (2012) · Nature Materials · doi:10.1038/nmat3439 · Cited by 3,234

Defect‐Rich MoS 2 Ultrathin Nanosheets with Additional Active Edge Sites for Enhanced Electrocatalytic Hydrogen Evolution

Xie, J., Zhang, H., Li, S., Wang, R., Sun, X., Zhou, M., Zhou, J., Lou, X. W. (., & Xie, Y. (2013) · Advanced Materials · doi:10.1002/adma.201302685 · Cited by 3,079

Molecular-channel driven actuator with considerations for multiple configurations and color switching

Mu, J., Wang, G., Yan, H., Li, H., Wang, X., Gao, E., Hou, C., Pham, A. T. C., Wu, L., Zhang, Q., et al. (2018) · Nature Communications · doi:10.1038/s41467-018-03032-2 · Cited by 1,458

Recent advances in tuning the properties of metallic 2D transition-metal dichalcogenides for energy conversion and storage

Ha, J., Park, G., Kang, G., Kang, J., Bak, H., Lee, D., Lee, H., Cho, K., & Kim, Y. (2026) · Advances in Industrial and Engineering Chemistry · doi:10.1007/s44405-026-00045-0 · Cited by 4

Adjacent atomic cobalt sites anchored on carbon foam as a self-supporting electrode for efficient hydrogen evolution

Wang, Y., Yu, J., Zhu, J., Liu, Q., Liu, J., Chen, R., Li, R., & Wang, J. (2023) · Journal of Materials Chemistry A · doi:10.1039/d3ta02149a · Cited by 4

Construction of Quench-Induced Ru-Doped CoNiP Hierarchical Spheres for Hydrogen Evolution at High Current Densities

Hou, Y., Wang, M., Wang, W., Du, Y., Li, S., Gu, Y., Chen, D., Zhang, R., & Wang, L. (2024) · Inorganic Chemistry · doi:10.1021/acs.inorgchem.4c02349 · Cited by 4

Hydrogen evolution reaction performance of Mn modified monolayer MC2 MXene

Li, Q., Tang, C.-M., You, Z.-Y., Wang, Y.-Y., Xiao, T., & Xiong, F. (2025) · Molecular Catalysis · doi:10.1016/j.mcat.2024.114752 · Cited by 7

Could one non-noble metal surface with non-noble substrate be a good hydrogen evolution catalyst: Performance of transition metal A monolayer on B substrate in theory frame

Chen, S., Yu, G., Huang, B.-Y., Wang, D., Yin, W., & Li, X. (2022) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2022.08.197 · Cited by 4

RuP2 Nanoparticles Decorated on Natural Cellulose Nanofibrils-Derived N, P Codoped Carbon Matrix for Hydrogen Evolution at Dual pH and Seawater

Shen, S., Zhang, Q., Guo, W., Jiao, G., Wang, Y., Wang, H., Shao, K., Wang, Z., Li, C., Peng, X., et al. (2025) · ACS Applied Nano Materials · doi:10.1021/acsanm.5c00381 · Cited by 3

V-doped MoS2 enabled oriented-customization of the active site toward superior nitrogen reduction to ammonia

Wang, D., Liu, B., Yangliu, Y., Peng, X., Fei, H., & Wu, Z. (2025) · Chemical Engineering Journal · doi:10.1016/j.cej.2025.168090 · Cited by 3

Ru-doped CoS 1.097 nanoparticles for improved electrocatalytic hydrogen evolution reaction

Zhang, J., Pang, X., Luo, J., Wang, X., Wang, S., & Zhou, Y. (2023) · New Journal of Chemistry · doi:10.1039/d2nj05944d · Cited by 3

Sponge-like tungsten phosphide-ruthenium constructed by ultrafast quasi-solid state microwave for wide pH hydrogen generation

Luan, X., Guo, L., Yan, P., Xiao, W., Li, H., Xin, L., Xu, G., Ma, T., Chen, D., Wu, Z., et al. (2024) · Fuel · doi:10.1016/j.fuel.2024.132814 · Cited by 3

Utilizing the carbon nano-belt (8-CNB) loaded late second-row transition metal (TM) single-atom catalysts for hydrogen and oxygen evolution during water electrolysis

Allangawi, A., Biju, S., Balachandran, R., Ayub, K., Gilani, M. A., Imran, M., & Mahmood, T. (2024) · Materials Science in Semiconductor Processing · doi:10.1016/j.mssp.2024.109139 · Cited by 3

RuCu Nanorod Arrays Synergistically Promote Efficient Water-Splitting

Chen, T., Kong, X., & Liu, Q. (2025) · Catalysts · doi:10.3390/catal15010098 · Cited by 3

Triggering Exothermic Water Dissociation on Copper via Rhenium Implantation for Enhanced Alkaline Hydrogen Generation

Rajbongshi, B., Tripathi, P., Singh, A. K., & Shaijumon, M. M. (2025) · Small · doi:10.1002/smll.202504300 · Cited by 3

Machine Learning Interatomic Potentials Enable Molecular Dynamics Simulations of Doped MoS 2

Faiyad, A., & Martini, A. (2026) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.5c02004 · Cited by 2

Homologous element substitution boosts MoS2 out-of-plane piezoelectricity for piezocatalytic environmental remediation

Liu, W., Zhang, L., Hou, Z., Wang, J., & Li, A. (2025) · Journal of environmental chemical engineering · doi:10.1016/j.jece.2025.120205 · Cited by 2

DFT-screened transition-metal single atoms on Janus WSeTe: high-performance bifunctional ORR/OER electrocatalysts via structural asymmetry

Jiang, Y., Tang, T., Du, J., Wang, X., Guo, C., Ni, Y., Chen, Y., & Wang, H. (2025) · Applied Surface Science · doi:10.1016/j.apsusc.2025.165680 · Cited by 2

Overview of 2D transition metal dichalcogenides for energy applications: Current trends and future perspectives

Singh, G., Joshi, A. J., Adarsh, T., Swami, S., Veerababu, N., Materny, A., & Singh, D. K. (2026) · Synthetic Metals · doi:10.1016/j.synthmet.2026.118124 · Cited by 3

High-performance hybrid asymmetric supercapacitors based on sustainable RuₓP/N or P-doped porous carbon from vegetable root waste

Laihang, S., Lin, J., Limthongkul, P., & Hasin, P. (2026) · Journal of Energy Storage · doi:10.1016/j.est.2026.121102 · Cited by 2

Research progress on structural design and modification of molybdenum-based electrocatalysts for sustainable hydrogen production

Li, H., Wang, B., Zhang, X., Ding, J., Liao, J., Gan, H., Huo, K., & Chu, P. K.-H. (2026) · Renewable and Sustainable Energy Reviews · doi:10.1016/j.rser.2026.117220 · Cited by 2

Single‐Atom Engineering on Transition Metal Dichalcogenides for Advanced Catalytic Applications

Yin, J., Liu, R., Chen, W., Qian, S., Lang, L., Du, Y., & Zhang, J. (2026) · Advanced Synthesis & Catalysis · doi:10.1002/adsc.70637 · Cited by 2

Bismuth Single‐Atom Decorated Crystalline/Amorphous Ru/RuO 2 Heterojunctions With Abundant Oxygen Vacancies for pH‐Universal Hydrogen Evolution Reaction

Jin, M., Kuang, X., Qiu, L., Lin, F., Liu, Y., Hu, X., Zhang, J., Liu, Y., Liu, J., Tan, C. W., et al. (2026) · Carbon Neutralization · doi:10.1002/cnl2.70187 · Cited by 2

Single-atom Ru anchoring on MoS2 nanosheets induces interfacial electronic reconstruction for enhanced OER and HER catalytic performance in alkaline media

Li, A., Shoaib, M., Rehman, H. U., & Li, Z. (2026) · Journal of Alloys and Compounds · doi:10.1016/j.jallcom.2026.190770 · Cited by 2

Synergistic heterostructural interface of CoP and WC for high-performance wide pH-universal hydrogen evolution electrocatalysis

He, W., Chen, J., Du, B., Xiao, Y., Tan, X., Guo, Y., Cui, H., & Wang, C. (2024) · Surfaces and Interfaces · doi:10.1016/j.surfin.2024.105043 · Cited by 2

Engineering Amorphous CoNiRuOx Nanoparticles Grown on Nickel Foam for Boosted Electrocatalytic Hydrogen Evolution

Shi, X., Ye, Q., Huang, Q., Ma, J., Liu, Y., & Lin, S. (2025) · Catalysts · doi:10.3390/catal15030211 · Cited by 2

Ultra-small Ru0-loaded carbon nanotubes for highly efficient electrocatalytic H2 production over a wide pH range

Li, X., Zhao, Z., Huang, K., Meng, X., & Li, Z. (2024) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2024.09.196 · Cited by 1

An atomic-scale fluidic diode based on hexagonal nanopores in bilayer molybdenum disulfide

Cao, Y., Wang, W., Geng, W. T., & Kou, J. (2025) · Physics of Fluids · doi:10.1063/5.0258629 · Cited by 1

Interfacial Electric Fields and Chemical Bonds in Ti3C2O-Crafted AgI/MoS2 Direct Z-Scheme Heterojunction Synergistically Expedite Photocatalytic Performance

Jiao, S., Chen, T., Ying, Y., Liu, Y., & Wu, J. (2025) · Catalysts · doi:10.3390/catal15080740 · Cited by 1

Gold‐Autocatalyzed Synthesis of Multi‐Element Clusters on Monolayer MoS 2 for the Manipulation of Photogenerated Carriers

Duan, R., Qi, W., Xu, M., Xu, X., Du, C., Yu, H. W., Yang, Y., Liu, X., & Liu, W. (2025) · Advanced Optical Materials · doi:10.1002/adom.202501208 · Cited by 1

Introduction to Advanced Applications of Functionalized Magnetic Nanomaterials (FMNs)

Gulati, S., Chitranjan, M., Khohal, R., & Yadav, R. (2025) · Nanostructure science and technology · doi:10.1007/978-3-031-97199-0_1 · Cited by 1

Earth-abundant CoMnFeSi Heusler alloy as a promising catalyst for the hydrogen evolution reaction

Aladerah, B., Alkhazaleh, M., & Obeidat, A. A. (2026) · Scientific Reports · doi:10.1038/s41598-026-55159-8 · Cited by 1

Ru‐Ag Dual Atom Sites for Methane Detection Enabling Intelligent Thermal Runaway Warning in Lithium‐Ion Batteries

Liang, T., Ma, W., Song, Y., Hou, W., Li, Z., Liu, J., Wang, W., Jin, Y., Wei, R., & Wang, Q. (2025) · Rare Metals · doi:10.1002/rar2.70098 · Cited by 1

Simultaneous enhancement of electrocatalytic hydrogen evolution and photoluminescence in supercritical CO2-treated two-dimensional MoS2

Zhang, C., Han, L., Li, Z., & Qi, Y. (2026) · Journal of Physics and Chemistry of Solids · doi:10.1016/j.jpcs.2026.113619 · Cited by 1

A hierarchical Ru nanoparticle-decorated MoS 2 @Ni-MOF for highly efficient overall water splitting

Xue, Y., Chen, J., Guo, J., Wang, Y., Yang, J., Hu, T., & Wang, X. (2026) · Chemical Communications · doi:10.1039/d6cc01908k · Cited by 1

Transition Metal Dichalcogenides as Triboelectric Performance Enhancers: Charge Dynamics and Multifunctional Integration in Self‑Powered Systems

Farhan, M., Afzal, A., Sun, E., Shoaib, M., Rehman, H. U., Cao, X., & Wang, N. (2026) · Small · doi:10.1002/smll.75136 · Cited by 1

Dual Modulation of Interfacial Water Structure and Metal‐Support Interaction via Single‐Atom Sites for Industrial Hydrogen Evolution

Xu, G., Sun, M., Jia, X., Huang, C., Li, C., Huang, B., Xiao, M., Liu, C., Zhu, J., & Xing, W. (2026) · Advanced Materials · doi:10.1002/adma.74720 · Cited by 1

Synergistic effect of In2+ doping in MoS2 nanosheets for rapid hydrogen production

Bhakhar, S. A., Solanki, G. K., Dabhi, S. D., Gajaria, T. K., Pataniya, P. M., & Sumesh, C. K. (2025) · Materials Science and Engineering B · doi:10.1016/j.mseb.2025.118032 · Cited by 1

Electronic structure regulation of MoS2-x by a functionalized nanofiber membrane for boosting Fenton reactions under neutral conditions

Bie, X., Li, G., Gao, X., Yu, J., Wang, K., Han, Z., & Kang, W. (2025) · Separation and Purification Technology · doi:10.1016/j.seppur.2025.133355 · Cited by 1

Self-Supported Co-Vs2@Mos2 Heterostructure for Boosting Overall Water SplittingPreprint

Yin, P., Feng, T., & Lei, T. (2024) · SSRN Electronic Journal · doi:10.2139/ssrn.4873871 · Cited by 1

Ruthenium Single Atoms Anchored on Commercial Carbon Cloth for Efficient Electrocatalytic Hydrogen Evolution ReactionPreprint

jing, Y., Zhang, J., Wang, Y., Liu, B., Zhang, P., & Xu, B. (2022) · SSRN Electronic Journal · doi:10.2139/ssrn.4096632

3d Transition Metal Doping Induced Charge Rearrangement And Transfer In Ni3s2 [101] Facet For Overall Water-SplittingPreprint

Zhang, M., Shao, X., Liu, L., Xu, X., Pan, J., & Hu, J. (2022) · SSRN Electronic Journal · doi:10.2139/ssrn.4110630

Hydroxylation-Inducing the Coupled Dual-Centers in Highly Amorphized Ni0.76Mo1.24/Mo2N Nanoarrays with Superior Alkaline Hydrogen EvolutionPreprint

Jia, H., Wang, H., Su, X., Zhang, H., Yan, F., Li, Z., & Wang, J. (2023) · Research Square · doi:10.21203/rs.3.rs-2441531/v1

The Electrocatalytic Her Activity of Decorated Mos2 with the Ruthenium NanoparticlesPreprint

Lin, T., Hu, Y., Wang, J., Liu, Y., & Zhou, W. (2023) · SSRN Electronic Journal · doi:10.2139/ssrn.4630897

The preparation and hydrogen evolution performance study of electrodeposited Ru-Mo2WS6/Ni-Co/NF

Guo, C., Wang, D., Zhang, L., Guo, J., Lu, X., & Wang, J. (2024) · Scientia Sinica Chimica · doi:10.1360/ssc-2024-0059

Single-Atom Ru Doping Induced Modulation of 2h@1t Mos2 Phase Incorporation for Potentiated Electrocatalytic Hydrogen Evolution in SeawaterPreprint

Li, R., Meng, Y., Li, J., Wang, N., Yang, X., Li, Z., Zhang, Y., Liu, G., & Peng, Y. (2025) · SSRN Electronic Journal · doi:10.2139/ssrn.5171176

Cobalt-Doping Induced Efficient Lattice Distortion and 1t-Phase Transition in Mos₂ and its Enhanced Piezocatalytic Degradation Performance of MethotrexatePreprint

Wang, Z., Chang, J., Zhong, H., Zhang, H., Qiu, Y., Yin, D., & Zhu, Z. (2025) · SSRN Electronic Journal · doi:10.2139/ssrn.5244370

Advances in Electrocatalyst Design for Hydrogen Production by Water Electrolysis

Kumar, S., & Yang, Y. (2025) · Green energy and technology · doi:10.1007/978-3-031-88550-1_7

Transition metal atoms supported by Janus NbSSe monolayer for overall water splitting and oxygen reduction: A computational study

Hu, W., Yang, A., Zhong, C., & Yu, X. (2025) · Chemical Physics Letters · doi:10.1016/j.cplett.2025.142432

Oxygen‐Loaded 1T′ MoS 2 Nanoelectrocatalyst for Efficient Hydrogen Evolution

Nayana, K., Jose, G., & Sunitha, A. P. (2025) · ChemistrySelect · doi:10.1002/slct.202504846

Machine learning assisted directed conversion of waste plastics into high-performance single-atom catalysts: Progress, challenges and future opportunities

Xue, J., Li, Y., Ren, Y., Wei, L., & Ling, N. (2026) · Journal of Analytical and Applied Pyrolysis · doi:10.1016/j.jaap.2026.107804

Dynamic Phase‐Evolution‐Triggered Strong Metal‐Support Interaction Configures Atomic Ru Sites for Superior Alkaline Hydrogen Evolution

Jia, S., Zhang, X., Guo, Y., Zhang, J. H., Liu, Q., Wang, S., Tang, Y., Wang, J., Wang, Y. M., & Sun, H. (2026) · Advanced Functional Materials · doi:10.1002/adfm.76311

Ru-anchored heterojunction catalyst: synergistic modulation of electronic structure for efficient hydrogen evolution reaction

Qin, R., Tang, Y., & Han, Y. (2026) · Nanoscale · doi:10.1039/d6nr01498d

In situ preparation of an ultra-low Au loading self-supporting catalyst: application in acidic hydrogen production

Yang, X.-F., Yan, Y., Bai, Y.-X., Cao, Z.-H., Liu, T., & Ge, X.-L. (2026) · Ionics · doi:10.1007/s11581-026-07409-y

Isolated Ru-driven charge redistribution of Ni active framework sites enables low-voltage overall urea electrolysis at industrial current densities

Liang, N.-N., Wang, T., Wang, H., Tang, Y., Qiu, Z., Piao, G., Kim, D. J., Kim, T. W., Luo, M., & Park, H. (2026) · Chemical Engineering Journal · doi:10.1016/j.cej.2026.180127

Single-Atom Catalysts (SACs) for High-Efficiency Water Electrolysis: A Comprehensive Review

Akhtar, F., Akhtar, F., Saqib, M., Sardar, S. A., Shabir, T., Awais, M., Karim, S., & Kim, W. Y. (2026) · Materials · doi:10.3390/ma19163375

Synergistic strengthening of lightweight paper-based aramid nanofiber self-lubricating composites using core-shell nanolock structure

Wang, M., Zhang, Z., Liu, W., Yuan, L., Chu, X., Chu, F., Yuan, J., & Yang, M. (2026) · Tribology International · doi:10.1016/j.triboint.2026.112622

2D semiconductors at the energy nexus: A comprehensive view of conversion and storage technologies

Malik, I., Kumar, A., Singh, M., Pachauri, S., AlQahtani, D., & Hazzazi, F. (2026) · Materials Science in Semiconductor Processing · doi:10.1016/j.mssp.2026.111111

Engineering Mo–S–Re bridging units via d–p orbital hybridization for enhanced hydrogen evolution

Bijun, D., Yinglong, W., Yang, Q., Li, N., Xiaotong, H., & Hu, B. (2026) · Applied Surface Science · doi:10.1016/j.apsusc.2026.168289

Piezoelectricity Prompts Fenton Reaction Over a MoS 2 /N‐Doped Carbon‐Coated BaTiO 3 Core–Shell Heterojunction

Li, C., Wang, Y., Shu, S., Shi, J., Chen, N., & Pan, B. (2026) · Small · doi:10.1002/smll.75830

Three-Dimensional NiCo2S4/MoS2 Heterostructured Nanoflakes on Nickel Foam as a High-Performance Electrocatalyst for Alkaline Hydrogen Evolution Reaction

Cao, K., Lu, Y., Zhang, X., Jia, Y., Cai, X., Huan, Y., Tang, F., & Yu, L. (2026) · Langmuir · doi:10.1021/acs.langmuir.6c03497

Elucidating the active site on PdPt nanocatalysts supported by MoS 2− x for the hydrogen evolution reaction

Hadley, A. M. K., Lucchetti, L. E. B., Gautam, S., Siahrostami, S., & Gates, B. D. (2026) · RSC Advances · doi:10.1039/d6ra05145f

Single‐Atom Ru Doping Induced Phase Transition of MoS 2 and S Vacancy for Hydrogen Evolution Reaction

Zhang, J., Xu, X., Yang, L., Cheng, D., & Cao, D. (2019) · Small Methods · doi:10.1002/smtd.201900653 · Cited by 332

Single-atom ruthenium based catalyst for enhanced hydrogen evolution

Wang, D., Li, Q., Han, C., Xing, Z., & Yang, X. (2019) · Applied Catalysis B: Environmental · doi:10.1016/j.apcatb.2019.02.059 · Cited by 207

Decoration of MoS2 with dual single atom defect combination (single Ru atom and S atom vacancies) for efficient hydrogen productionPreprint

Li, X., Ding, Z., Ma, R., Qi, F., Yi, H., & Wang, C. (2025) · SSRN Electronic Journal · doi:10.2139/ssrn.5747409

Ru monolayer island doped MoS2 catalysts for efficient hydrogen evolution reaction

Li, X., Han, S., Qiao, Z., Zeng, X., Cao, D., & Chen, J. (2022) · Chemical Engineering Journal · doi:10.1016/j.cej.2022.139803 · Cited by 82

Doping and Phase Engineering Enhanced Ru‐Doped 1T‐MoS2 Electrocatalyst for Industrial Hydrogen Evolution

Li, H., Peng, D., Liu, Z., Song, Y., Liu, P., & Guo, J. (2025) · ChemNanoMat · doi:10.1002/cnma.202500177 · Cited by 2