JCAP researchers determined CO2RR reaction mechanisms from Quantum Mechanics free energy Calculations with Explicit water

Quantum Mechanics calculations with a realistic description of water were used to determine the mechanisms from free energy barriers of CO2RR providing an opportunity to use such calculations for designing new selective and active CO2RR catalysts.



JCAP Researchers successfully use combinatorial science to accelerate materials development for solar flues applications

JCAP’s high-throughput experimentation team together with scientists from SSRL develop a strategy to enable structure-property mapping of promising light absorbers.



Solar-Driven Reduction of CO2 to Formate at 10% Energy-Conversion Efficiency

Researchers assembled and characterized a device that under 1 Sun illumination operates in two electrolytes with different pHs and reduces CO2 to formate




Defective TiO2 with high photoconductive gain for efficient and stable planar heterojunction perovskite solar cells

Long-term stability and high efficiency from planar heterojunction halide perovskites is enabled by addressing interfacial degradation and charge transfer resistance limitations.


Modeling, Simulation, and Implementation of Solar-Driven Water-Splitting Devices

JCAP researchers produced a review article on modeling and development of integrated solar-driven water-splitting devices

Stability and Self-Passivation of Copper Vanadate Photoanodes

Self-passivation under operational conditions is observed for several copper vanadate photoanodes, demonstrating their viability for durable solar fuels devices.


Reduction of CO2 and CO using Bifunctional alloys 

Density functional theory is used to study the reduction of CO2 and CO to hydrocarbons through a formyl pathway on alloys with an A3B composition


Torelli ACS Catalysis

CO2 electrochemical reduction catalyzed by bimetallic materials at low overpotential 

Electrocatalytic reduction of CO2 to highly reduced C2 and C1 products was accomplished on three different phases of nickel-gallium films at low overpotentials



Recent advances in understanding of hot carrier dynamics in chemical systems and solids for energy conversion and catalysis applications

Understanding the mechanisms and factors that govern plasmon energy conversion into hot carries is one of the first steps toward design of efficient materials that can harvest solar energy and catalyze CO2 conversion to fuels


Photoanode Development Through Combinatorial Integration of mixed-metal Oxide Catalysts on Bismuth vanadate

High-throughput characterization can enable identification of integrated photoanodes assemblies and demonstrates importance of interface engineering



Assembly and photocarrier dynamics of heterostructured nanocomposite photoanodes from multicomponent colloidal nanocrystals

Finely-tailored complex materials were studied to demonstrate their functionality as promising light absorbers


How Can theory help with rapid screening of promising photocatalysts in solvent?

JCAP scientists are developing novel theoretical methods to predict the effect that solvents have on material properties - and consequently the photoelectrochemical performance - inside solar-fuels generators