Research graph
References from Electronic origin of catalytic methane pyrolysis on NiMoM-Bi alloys: a bader charge descriptor. Local targets link to admitted publications; unresolved targets remain external evidence.
Hydrogen production via methanol steam reforming: a review of H2 production enhancement methods
10.1016/j.fuel.2026.139059 · 2026 · External reference
Integrated CO2 capture and utilization via calcium-looping and dry reforming of methane: A review on sintering and coke deposition, mitigation strategies and techno-economic analysis
10.1016/j.fuel.2025.137706 · 2026 · External reference
Data-driven strategies for designing multicomponent molten catalysts to accelerate the industrialization of methane pyrolysis
10.1021/acscatal.5c02415 · 2025 · External reference
Reinforcing hydrogen and carbon nanotube co-production via Cr–O–Ni catalyzed methane decomposition
10.1039/d3ta06921d · 2024 · External reference
Catalytic methane pyrolysis in molten alkali chloride salts containing iron
10.1021/acscatal.0c01262 · 2020 · External reference
Growth of diamond in liquid metal at 1 atm pressure
10.1038/s41586-024-07339-7 · 2024 · External reference
Methane pyrolysis for hydrogen production: navigating the path to a net zero future
10.1039/d4ee06191h · 2025 · External reference
Dynamic eco-techno-economic analysis of low-carbon hydrogen production from methane
10.1039/d5ya00346f · 2026 · External reference
Methane pyrolysis as a potential game changer for hydrogen economy: techno-economic assessment and GHG emissions
10.1016/j.ijhydene.2024.04.056 · 2024 · External reference
Catalytic decomposition of methane to produce hydrogen: A review
10.1016/j.jechem.2020.10.049 · 2021 · External reference
Catalytic molten metals for the direct conversion of methane to hydrogen and separable carbon
10.1126/science.aao5023 · 2017 · External reference
Continuous production of graphite nanosheets by bubbling chemical vapor deposition using molten copper
10.1021/acs.chemmater.7b02958 · 2017 · External reference
Solid carbon production and recovery from high temperature methane pyrolysis in bubble columns containing molten metals and molten salts
10.1016/j.carbon.2019.05.041 · 2019 · External reference
Insights into reaction mechanisms in liquid metals from density functional theory: CH4 pyrolysis in BiNiX (X = Cu, Al) molten metals as a case study
10.1021/acsaem.3c03235 · 2024 · External reference
Novel descriptor-driven design of molten alloys for methane pyrolysis
10.1021/acscatal.4c04480 · 2024 · External reference
Catalytic methane pyrolysis with liquid and vapor phase tellurium
10.1021/acscatal.0c00805 · 2020 · External reference
Temperature effects on the properties of solid carbon from natural gas pyrolysis in molten tin
10.1007/s42823-024-00716-2 · 2024 · External reference
Hydrogen production via methane pyrolysis in a liquid metal bubble column reactor with a packed bed
10.1016/j.cej.2016.04.066 · 2016 · External reference
Methane pyrolysis with a molten Cu–Bi alloy catalyst
10.1021/acscatal.9b01833 · 2019 · External reference
Ternary NiMo-Bi liquid alloy catalyst for efficient hydrogen production from methane pyrolysis
10.1126/science.adh8872 · 2023 · External reference
CP2K: An electronic structure and molecular dynamics software package - quickstep: efficient and accurate electronic structure calculations
10.1063/5.0007045 · 2020 · External reference
The role of reducible oxide-metal cluster charge transfer in catalytic processes: new insights on the catalytic mechanism of CO oxidation on Au/TiO2 from ab initio molecular dynamics
10.1021/ja402063v · 2013 · External reference
Dynamic formation of single-atom catalytic active sites on ceria-supported gold nanoparticles
10.1038/ncomms7511 · 2015 · External reference
Mechanistic insights into propene epoxidation with O2–H2O Mixture on Au7/α-Al2O3: a hydroproxyl pathway from ab initio molecular dynamics simulations
10.1021/acscatal.6b00021 · 2016 · External reference
Relativistic separable dual-space Gaussian pseudopotentials from H to Rn
10.1103/physrevb.58.3641 · 1998 · External reference
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
10.1063/1.2770708 · 2007 · External reference
Generalized gradient approximation made simple
10.1103/physrevlett.77.3865 · 1996 · External reference
Effect of the damping function in dispersion corrected density functional theory
10.1002/jcc.21759 · 2011 · External reference
Ab initio molecular dynamics. basic theory and advanced methods. By Dominik Marx and Jürg Hutter
10.1002/anie.200904748 · 2009 · External reference
A unified formulation of the constant temperature molecular dynamics methods
10.1063/1.447334 · 1984 · External reference
Canonical dynamics: equilibrium phase-space distributions
10.1103/physreva.31.1695 · 1985 · External reference
In situ probing electrified interfacial water structures at atomically flat surfaces
10.1038/s41563-019-0356-x · 2019 · External reference
Mechanism for one‐pot synthesis of 0D‐2D carbon materials in the bubbles inside molten salts
10.1002/adfm.202202381 · 2022 · External reference
Special quasirandom structures
10.1103/physrevlett.65.353 · 1990 · External reference
Efficient stochastic generation of special quasirandom structures
10.1016/j.calphad.2013.06.006 · 2013 · External reference
Atomistic understanding of Pt-based medium entropy alloys for oxygen reduction electrocatalysis based on first principles
10.1016/j.ijhydene.2022.09.247 · 2023 · External reference
Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces
10.1103/physrevlett.99.016105 · 2007 · External reference
High-entropy nanoparticles: Synthesis-structure-property relationships and data-driven discovery
2022 · External reference
Novel catalyst coatings on gas diffusion layers for improved proton exchange membrane water electrolysis: A microscopic analysis of D-Orbital electron interactions in Co0.75Ru0.21Ir0.04O0.9
10.1016/j.jallcom.2025.178827 · 2025 · External reference
Synthesis and properties of mirror-like large-grain graphite films
10.1038/s41467-025-62227-6 · 2025 · External reference
Highly-porous Super-Growth carbon nanotube sheet cathode develops high-power Lithium-Air Batteries
10.1016/j.electacta.2021.139415 · 2021 · External reference
Ab initio simulations of the structure of amorphous carbon
10.1103/physrevb.61.2349 · 2000 · External reference
Hydrogen production by methane pyrolysis in molten binary copper alloys
10.1016/j.ijhydene.2022.08.115 · 2023 · External reference
Co-Mn catalysts for H2 production via methane pyrolysis in molten salts
10.1016/j.cej.2021.128730 · 2021 · External reference
Catalytic molten Zn-Bi alloys for methane pyrolysis
10.1016/j.cej.2025.161304 · 2025 · External reference
Screening MXene-based single-atom catalysts for selective nitrate-to-ammonia electroreduction
10.1007/s40843-022-2406-5 · 2023 · External reference
Mechanism for one‐pot synthesis of 0D‐2D carbon materials in the bubbles inside molten salts
10.1002/adfm.202202381 · ExternalCitation · doi-reference
Ab initio molecular dynamics. basic theory and advanced methods. By Dominik Marx and Jürg Hutter
10.1002/anie.200904748 · ExternalCitation · doi-reference
Effect of the damping function in dispersion corrected density functional theory
10.1002/jcc.21759 · ExternalCitation · doi-reference
Screening MXene-based single-atom catalysts for selective nitrate-to-ammonia electroreduction
10.1007/s40843-022-2406-5 · ExternalCitation · doi-reference
Temperature effects on the properties of solid carbon from natural gas pyrolysis in molten tin
10.1007/s42823-024-00716-2 · ExternalCitation · doi-reference
Efficient stochastic generation of special quasirandom structures
10.1016/j.calphad.2013.06.006 · ExternalCitation · doi-reference
Solid carbon production and recovery from high temperature methane pyrolysis in bubble columns containing molten metals and molten salts
10.1016/j.carbon.2019.05.041 · ExternalCitation · doi-reference
Hydrogen production via methane pyrolysis in a liquid metal bubble column reactor with a packed bed
10.1016/j.cej.2016.04.066 · ExternalCitation · doi-reference
Co-Mn catalysts for H2 production via methane pyrolysis in molten salts
10.1016/j.cej.2021.128730 · ExternalCitation · doi-reference
Catalytic molten Zn-Bi alloys for methane pyrolysis
10.1016/j.cej.2025.161304 · ExternalCitation · doi-reference
Highly-porous Super-Growth carbon nanotube sheet cathode develops high-power Lithium-Air Batteries
10.1016/j.electacta.2021.139415 · ExternalCitation · doi-reference
Integrated CO2 capture and utilization via calcium-looping and dry reforming of methane: A review on sintering and coke deposition, mitigation strategies and techno-economic analysis
10.1016/j.fuel.2025.137706 · ExternalCitation · doi-reference
Hydrogen production via methanol steam reforming: a review of H2 production enhancement methods
10.1016/j.fuel.2026.139059 · ExternalCitation · doi-reference
Hydrogen production by methane pyrolysis in molten binary copper alloys
10.1016/j.ijhydene.2022.08.115 · ExternalCitation · doi-reference
Atomistic understanding of Pt-based medium entropy alloys for oxygen reduction electrocatalysis based on first principles
10.1016/j.ijhydene.2022.09.247 · ExternalCitation · doi-reference
Methane pyrolysis as a potential game changer for hydrogen economy: techno-economic assessment and GHG emissions
10.1016/j.ijhydene.2024.04.056 · ExternalCitation · doi-reference
Novel catalyst coatings on gas diffusion layers for improved proton exchange membrane water electrolysis: A microscopic analysis of D-Orbital electron interactions in Co0.75Ru0.21Ir0.04O0.9
10.1016/j.jallcom.2025.178827 · ExternalCitation · doi-reference
Catalytic decomposition of methane to produce hydrogen: A review
10.1016/j.jechem.2020.10.049 · ExternalCitation · doi-reference
Continuous production of graphite nanosheets by bubbling chemical vapor deposition using molten copper
10.1021/acs.chemmater.7b02958 · ExternalCitation · doi-reference
Insights into reaction mechanisms in liquid metals from density functional theory: CH4 pyrolysis in BiNiX (X = Cu, Al) molten metals as a case study
10.1021/acsaem.3c03235 · ExternalCitation · doi-reference
Catalytic methane pyrolysis with liquid and vapor phase tellurium
10.1021/acscatal.0c00805 · ExternalCitation · doi-reference
Catalytic methane pyrolysis in molten alkali chloride salts containing iron
10.1021/acscatal.0c01262 · ExternalCitation · doi-reference
Novel descriptor-driven design of molten alloys for methane pyrolysis
10.1021/acscatal.4c04480 · ExternalCitation · doi-reference
Data-driven strategies for designing multicomponent molten catalysts to accelerate the industrialization of methane pyrolysis
10.1021/acscatal.5c02415 · ExternalCitation · doi-reference
Mechanistic insights into propene epoxidation with O2–H2O Mixture on Au7/α-Al2O3: a hydroproxyl pathway from ab initio molecular dynamics simulations
10.1021/acscatal.6b00021 · ExternalCitation · doi-reference
Methane pyrolysis with a molten Cu–Bi alloy catalyst
10.1021/acscatal.9b01833 · ExternalCitation · doi-reference
The role of reducible oxide-metal cluster charge transfer in catalytic processes: new insights on the catalytic mechanism of CO oxidation on Au/TiO2 from ab initio molecular dynamics
10.1021/ja402063v · ExternalCitation · doi-reference
Dynamic formation of single-atom catalytic active sites on ceria-supported gold nanoparticles
10.1038/ncomms7511 · ExternalCitation · doi-reference
Synthesis and properties of mirror-like large-grain graphite films
10.1038/s41467-025-62227-6 · ExternalCitation · doi-reference
In situ probing electrified interfacial water structures at atomically flat surfaces
10.1038/s41563-019-0356-x · ExternalCitation · doi-reference
Growth of diamond in liquid metal at 1 atm pressure
10.1038/s41586-024-07339-7 · ExternalCitation · doi-reference
Reinforcing hydrogen and carbon nanotube co-production via Cr–O–Ni catalyzed methane decomposition
10.1039/d3ta06921d · ExternalCitation · doi-reference
Methane pyrolysis for hydrogen production: navigating the path to a net zero future
10.1039/d4ee06191h · ExternalCitation · doi-reference
Dynamic eco-techno-economic analysis of low-carbon hydrogen production from methane
10.1039/d5ya00346f · ExternalCitation · doi-reference
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
10.1063/1.2770708 · ExternalCitation · doi-reference
A unified formulation of the constant temperature molecular dynamics methods
10.1063/1.447334 · ExternalCitation · doi-reference
CP2K: An electronic structure and molecular dynamics software package - quickstep: efficient and accurate electronic structure calculations
10.1063/5.0007045 · ExternalCitation · doi-reference
Canonical dynamics: equilibrium phase-space distributions
10.1103/physreva.31.1695 · ExternalCitation · doi-reference
Relativistic separable dual-space Gaussian pseudopotentials from H to Rn
10.1103/physrevb.58.3641 · ExternalCitation · doi-reference
Ab initio simulations of the structure of amorphous carbon
10.1103/physrevb.61.2349 · ExternalCitation · doi-reference
Special quasirandom structures
10.1103/physrevlett.65.353 · ExternalCitation · doi-reference
Generalized gradient approximation made simple
10.1103/physrevlett.77.3865 · ExternalCitation · doi-reference
Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces
10.1103/physrevlett.99.016105 · ExternalCitation · doi-reference
Catalytic molten metals for the direct conversion of methane to hydrogen and separable carbon
10.1126/science.aao5023 · ExternalCitation · doi-reference
Ternary NiMo-Bi liquid alloy catalyst for efficient hydrogen production from methane pyrolysis
10.1126/science.adh8872 · ExternalCitation · doi-reference
