Theoretical Insights into Heterogeneous (Photo)electrochemical CO2Reduction

Generalized Gradient Approximation Made Simple

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Density-functional thermochemistry. III. The role of exact exchange

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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

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Self-Consistent Equations Including Exchange and Correlation Effects

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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

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Inhomogeneous Electron Gas

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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

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Accurate and simple analytic representation of the electron-gas correlation energy

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Canonical dynamics: Equilibrium phase-space distributions

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Microscopic principles of chemical engineering after fossil fuels

Wu, J. (2022) · Resources Chemicals and Materials · doi:10.1016/j.recm.2022.07.006 · Cited by 5

Multisample Correlation Reveals the Origin of the Photocurrent of an Unstable Cu2O Photocathode during CO2 Reduction

Kim, K., Peleckis, G., Wagner, K. K., & Mozer, A. J. (2021) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.1c02280 · Cited by 5

DFT-Guided screening and descriptor based design of transition metal-doped porous boron nitride for efficient CO2 reduction to C1 products

Intayot, R., Yodsin, N., Montoya, A., Jungsuttiwong, S., & Injongkol, Y. (2025) · Journal of environmental chemical engineering · doi:10.1016/j.jece.2025.117039 · Cited by 4

THz Pump Pulse-Driven Temporal Response of Liquid Water Probed by Machine-Learning-Accelerated Non-Equilibrium Molecular Dynamics

Joll, K., & Schienbein, P. (2025) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.5c02395 · Cited by 5

LaFe1-xMnxO3−δ as effective redox catalysts for CO2 splitting and methane partial oxidation in a cyclic redox scheme

Iftikhar, S., Martin, W., Pedersen, A. W., Portillo, S., Liu, J., & Li, F. (2025) · Catalysis Today · doi:10.1016/j.cattod.2025.115546 · Cited by 4

Stabilization of amorphous Cu2O on Ti3+-rich TiO2 via defect-mediated interfacial bonding for efficient photocatalytic CO2-to-CH4 conversion

Wang, X., Zhao, D., Guo, Y., Fan, Y., Sun, Y., Chen, W., & Bai, Y. (2025) · Applied Surface Science · doi:10.1016/j.apsusc.2025.165640 · Cited by 4

Oxygen atom-driven *COOH formation pathway on FeP/Cu2O Heterostructure for highly selective photoelectrochemical reduction of CO2 to CO

Lv, Z., Jia, D., Wei, J., Xue, H., Tian, J., & Jiang, T. (2026) · Electrochimica Acta · doi:10.1016/j.electacta.2026.148242 · Cited by 4

Engineering an S-scheme ZnIn2S4/CuInS2 heterojunction on flexible substrate for steering selectivity in photothermal CO2 reduction towards CO

Bi, D., Shi, J., Li, Z., Ruan, L., Xu, S., Yang, L., Zhang, X., & Ordomsky, V. V. (2026) · Applied Catalysis B: Environmental · doi:10.1016/j.apcatb.2026.127011 · Cited by 4

FeN4-Embedded Graphene as a Highly Sensitive and Selective Single-Atom Sensor for Reaction Intermediates of Electrochemical CO2 Reduction

Cai, Y., Zhou, X., Wang, Y., & Li, Y. (2024) · ACS Omega · doi:10.1021/acsomega.4c04465 · Cited by 4

Progress and Prospect of Application of Two-Dimensional Materials in Electrochemical CO 2 Reduction: A Review

Liu, H., Guo, R., Yan, J., Guo, S., Yu, L., & Pan, W. (2024) · Energy & Fuels · doi:10.1021/acs.energyfuels.4c03022 · Cited by 5

Theoretical investigation on the reaction mechanism of photocatalytic CO 2 reduction over NaTaO 3 modified with metal cocatalysts (Ru, Rh, and Ag)

Jin, C., Wang, L., Hao, D., & Zhou, X. (2025) · Catalysis Science & Technology · doi:10.1039/d5cy00132c · Cited by 5

Multi-electron donation promotes the photocatalytic conversion of carbon dioxide to methane in a covalent bonded metal-complex/quantum dots hybrid catalyst

Zhao, Q., Abdellah, M., Liu, Y., Meng, J., Zou, X., Enemark‐Rasmussen, K., Zhou, Y., Li, Y., Cao, Y., Chen, Y., et al. (2025) · Chemical Engineering Journal · doi:10.1016/j.cej.2025.167651 · Cited by 4

Enhancing photoelectrochemical CO2 reduction with CuBi2O4-cellulose nanofiber hybrid photocathodes

Cho, A. Y., Yoon, J. H., Lee, S., Yun, H., Ma, J., Park, J., Kim, S. Y., lee, J., & Choi, T. (2026) · Cellulose · doi:10.1007/s10570-026-06947-y · Cited by 4

Future directions of material chemistry and energy chemistry

Cao, J., Ma, D., & Yu, S. (2021) · Pure and Applied Chemistry · doi:10.1515/pac-2020-1011 · Cited by 4

Crystal facet-dependent product selectivity of CO2 reduction reaction on indium revealed by first-principles calculations

Li, F., Wang, Q., Liu, G., Lv, W. Z., & Zhou, Z. (2023) · Surface Science · doi:10.1016/j.susc.2023.122333 · Cited by 4

Theoretical study on electroreduction of CO2 to multi-carbon compounds catalyzed by Mo-based two-dimensional carbon-rich conjugated frameworks in tandem

Du, J., Guo, L., Niu, X., & Xing, H. (2024) · Materials Today Communications · doi:10.1016/j.mtcomm.2024.108106 · Cited by 4

Computational catalysis on the conversion of CO2 to methane—an update

Joby, P., Manojkumar, Y., Rajendran, A., & Solomon, R. V. (2024) · Frontiers of Chemical Science and Engineering · doi:10.1007/s11705-024-2484-3 · Cited by 4

Photocurrent switching effect and visible light activity of electrochemically synthesized bifunctional through oxide via TiO2/CuO composites

Levinas, R., Pakštas, V., Niaura, G., Viter, R., Jasulaitienė, V., Tamašauskaitė–Tamašiūnaitė, L., & Norkus, E. (2024) · Electrochimica Acta · doi:10.1016/j.electacta.2024.145483 · Cited by 4

N‐Hydroxyphthalimide/TiO2 Catalyzed Addition of Ethers, Alkylarenes and Aldehydes to Azodicarboxylates under Visible Light

Lopat’eva, E. R., Борисович, К. И., & Terent'ev, A. O. (2025) · Chemistry - A European Journal · doi:10.1002/chem.202404687 · Cited by 4

N, S coordination in Co single atom catalyst promoting CO2RR towards HCOOH at negative potentials

Zhang, H., Wang, M., Cao, S., Chen, Z., Liu, S., Chen, H., Yin, Y., Yue, Z., Wei, S., Wang, Z., et al. (2025) · Molecular Catalysis · doi:10.1016/j.mcat.2025.115137 · Cited by 4

Modeling electron storage at the interface between Au and anatase-TiO2 under ambient conditions

Li, Y., Cheng, D., Son, G., Shneidman, A. V., Lim, K. R. G., Aizenberg, J., & Sautet, P. (2025) · Chem Catalysis · doi:10.1016/j.checat.2025.101430 · Cited by 4

Recent Advances in Electrophotochemical Transition Metal Catalysis

Yao, Y., & Fu, N. (2025) · Chinese Journal of Organic Chemistry · doi:10.6023/cjoc202409038 · Cited by 4

Modeling and multiphysics analysis for electrochemical CO2 reduction in solid-electrolyte reactors

Zhang, W., Haowen, S., Liu, Y., Xu, Q., Su, H., Ma, Q., Liu, H., Hua, L., & Li, Z. (2023) · Chemical Physics Letters · doi:10.1016/j.cplett.2023.141031 · Cited by 4

Postface: Conclusion on Renewable Energy Strategies for a Sustainable Future: Part A: Role of Energy Storage

Song, W., Yong-jun, G., Bashir, S., & Liu, J. L. (2021) · Springer eBooks · doi:10.1007/978-3-030-74406-9_27 · Cited by 4

Photoelectrochemical CO 2 Reduction

Yang, Z., Ning, H., Zhao, Q., Sun, H., & Wu, M. (2021) · Wiley eBooks · doi:10.1002/9783527825073.ch10 · Cited by 4

Synthesis of a Triangle-Fused Six-Pointed Star and Its Electrocatalytic CO2 Reduction Activity

Wang, G., Zhang, Z.-X., Chen, H., Fu, Y., Xiang, K., Han, E., Wu, T., Bai, Q., Su, P., Wang, Z., et al. (2024) · Inorganic Chemistry · doi:10.1021/acs.inorgchem.4c00550 · Cited by 3

Enhanced CO2 Adsorption and Conversion Induced by Surface Oxygen Vacancy on Low‐Index (010) Surface of Anatase TiO2

Yu, M., Li, R., Li, J., Yang, X., & Peng, Y. (2025) · ChemPhysChem · doi:10.1002/cphc.202500245 · Cited by 3

Exploring transition metal-based electrocatalysts for carbon dioxide reduction: Towards enhanced product

Singh, N. S. S., Rusho, M. A., Abilkasimov, A., Latipova, M., Aldulaimi, A., Taki, ‎. G., Albadr, R. J., Taher, W. M., Smerat, A., Raja, M. R., et al. (2025) · Chemical Physics Letters · doi:10.1016/j.cplett.2025.142410 · Cited by 3

Electrochemical Potential Fluctuation Matters in Rate Constant Calculations for Proton-Coupled Electron Transfer

Sun, M., Fu, L. Y., & Xu, S. (2026) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.5c01534 · Cited by 3

Photoelectrochemical Heterogeneous Catalysis: From Single Molecule Oxidation Toward C─X Bond Formation

Wang, J., Li, J., Wu, L., & Tang, Z. (2026) · Angewandte Chemie · doi:10.1002/ange.9133941 · Cited by 3

Photoelectrode engineering for organic synthesis: a paradigm for high-value chemical transformations

Kang, W., Wang, C., Liu, Q., Wei, Y.-H., Tung, C.-H., & Wu, L. (2026) · Journal of Materials Chemistry A · doi:10.1039/d6ta00761a · Cited by 3

A new strategy for designing porphyrin-based Cu-modified MOFs for CO2-to-solar fuels conversion under visible light

Baluk, M. A., Pieczyńska, A., Mazierski, P., Kroczewska-Gnatowska, M., Nikiforow, K., Mikołajczyk, A., Hoang, K., Tolba, S. A., Pawlyta, M., Dołżonek, J., et al. (2026) · Applied Surface Science · doi:10.1016/j.apsusc.2026.166696 · Cited by 3

Pore engineering of Cu-based catalysts for enhanced electrocatalytic CO2 reduction to C2+ products

Sun, H., Zhang, X., Guo, R., Zhang, S., & Wang, H. (2026) · Chinese Chemical Letters · doi:10.1016/j.cclet.2026.112759 · Cited by 3

Modulating the Spatial Configuration of Bromine in Zinc-Based Covalent Organic Frameworks for Boosting Cocatalyst-Free CO 2 Cycloaddition

Chen, S. H., Li, J., Wang, X., Yue, Y., Song, P., & Gong, W. (2026) · ACS Materials Letters · doi:10.1021/acsmaterialslett.6c00208 · Cited by 3

From data to catalysis: advances and prospects of machine learning-driven electrocatalytic CO 2 reduction

He, X., Ruoxin, M., ZHANG, Z., Zhang, L. D., Li, J. H., Wei, Y., & Hao, X. (2026) · Green Chemistry · doi:10.1039/d6gc01575a · Cited by 3

Enhanced Electrochemical Chlorination of Anisole in Fe2o3 Nanoparticles Integrating with Crystal Facet Effect

Wu, Q., Zhang, Z., Wu, M. Q., Xie, L., Wang, C., Hao, J., Li, L., & Shi, W. (2022) · Applied Surface Science · doi:10.1016/j.apsusc.2022.155802 · Cited by 3

A brief review of in situ spectroscopic methods and electrochemical sensors as essential evaluation tools for the electrochemical reduction of CO 2 (ElRC)

Yadav, V. S. K., Saad, M. A. H. S., Al-Marri, M. J., & Kumar, A. (2024) · Sustainable Energy & Fuels · doi:10.1039/d3se01723k · Cited by 3

Interwoven Porous Pristine Cobalt‐Based Metal‐Organic Framework as an Efficient Photocatalyst for CO 2 Reduction

Ren, Z., Wang, S., Zhu, M., Wang, K., Wu, H., & Mao, F. (2024) · Small Methods · doi:10.1002/smtd.202401419 · Cited by 3

Unveiling Electron Dynamics in the Electrochemical Reduction of CO2 to Methane on Copper

Balakrishnan, A., Chen, W., Cheng, Y., Wang, K.-H., & Cheng, M. (2025) · ChemPlusChem · doi:10.1002/cplu.202500250 · Cited by 3

Effective photoelectrocatalytic reduction of CO2 to formic acid using controllably annealed TiO2 nanoparticles derived from porous structured Ti foil

Mubarak, S., Dhamodharan, D., Byun, H., Arya, S. B., & Pattanayak, D. K. (2022) · Journal of CO2 Utilization · doi:10.1016/j.jcou.2022.102152 · Cited by 3

Co-Conversion of CO2 and CH4 to High Value-Added Oxygenated Chemicals

Hu, L., Wang, J., Zhu, J., Zheng, X., He, X. H., & He, J. (2022) · Russian Journal of Physical Chemistry A · doi:10.1134/s0036024423020139 · Cited by 3

Electrochemical CO2 Reduction by Chalcogenide-Derived Cu Electrocatalysts: A Review

Ding, Q., Li, X., Liang, H., Ni, Y., Wang, Y., & Liu, J. (2023) · Materials Today Sustainability · doi:10.1016/j.mtsust.2023.100516 · Cited by 4

Oxygen vacancy in CoO/reduced graphene oxide composite for enhancing long-term effectiveness of photocatalytic CO2 reduction via mediating exciton

Wang, R., Du, L., Liu, Y., Gu, Y., Li, X., & Li, Y. (2023) · 2D Materials · doi:10.1088/2053-1583/ad0f2c · Cited by 3

Micropillar arrays supported mesoporous TiO2 photoanode for enhancing photoelectrochemical performance

Yu, Y., Li, J., Liu, Y., Pan, Z., Zhu, X., Ye, D., Yang, Y., Wang, H., An, L., Chen, R., et al. (2025) · Ceramics International · doi:10.1016/j.ceramint.2025.01.369 · Cited by 3

Efficient photoreduction of CO 2 to CO by Co-ZIL-L derived NiCo–OH with ultrathin nanosheet assembled 2D leaf superstructure

Zhang, Y., Zhong, W., Duan, L., Zhu, J., & Tan, H. (2024) · RSC Advances · doi:10.1039/d4ra07416e · Cited by 2

Transient Dangling Active Sites of Fe(III)−N−C Single‐Atom Catalyst for Efficient Electrochemical CO 2 Reduction Reaction

Qiu, Y., Liu, X., Li, W., Li, J., & Xiao, H. Y. (2025) · Angewandte Chemie · doi:10.1002/ange.202424150 · Cited by 2

Electrocatalytic materials engineering: Towards the renaissance of electrochemical organic synthesis

Liu, G., Zhang, H., Kang, J., & Guo, L. (2025) · Materials Today · doi:10.1016/j.mattod.2025.05.012 · Cited by 2

Breaking the CO bridge trap: boron–transition-metal trimer clusters for efficient C–C coupling in CO 2 reduction

Zang, Y., Huang, B., Dai, Y., Ma, Y., & Myung, C. W. (2025) · Journal of Materials Chemistry A · doi:10.1039/d5ta04930j · Cited by 2

Computational Evaluation of Defects in Fe–N4-Doped Graphene for Electrochemical CO2 Reduction

Yu, K., Liu, X., Wang, M., & Liu, J. (2025) · Catalysts · doi:10.3390/catal15090837 · Cited by 2

A review on conversion of carbon dioxide ( CO 2 ) to methanol and methane by photocatalytic reactors: a comparative analysis with algae‐based CO 2 sequestration

Arun, J., Priyadharsini, P., Shyam, S., Subathra, M., Gopinath, K. P., Nachiappan, S., & Naveen, S. (2025) · Journal of Chemical Technology & Biotechnology · doi:10.1002/jctb.70086 · Cited by 2

Photo-coupled electrocatalytic conversion of CO 2 to CO over cobalt phthalocyanine-modified POM-K 8 Ta 6 O 19 Z-scheme photocathodes

Liu, C., Song, L., Wu, W., Li, H., Dang, D., & Bai, Y. (2025) · Green Chemistry · doi:10.1039/d5gc04093k · Cited by 2

Transient Microkinetic Modeling of Electrochemical Reactions: Capturing Unsteady Dynamics of CO Reduction and Oxygen Evolution

Chaturvedi, S., Pathak, A. D., Sinha, N., & Rajan, A. G. (2025) · Advanced Theory and Simulations · doi:10.1002/adts.202500799 · Cited by 2

Modulating the kinetics of *COO−/COOH formation with proton relay ligands for highly selective CO2 reduction

Wei, Z., Yang, W., Li, G., Chen, J., Zheng, Z., Yuan, H., Su, Y., Fan, R., Yan, J., Deng, Z., et al. (2025) · Applied Catalysis B: Environmental · doi:10.1016/j.apcatb.2025.125990 · Cited by 2

Photothermal catalytic CO 2 hydrogenation to methanol

Lin, J., Jiao, C., Wang, Z., Yin, H., & Dai, X. (2026) · Green Chemistry · doi:10.1039/d6gc00690f · Cited by 2

The Jahn–Teller Effect of Cu Induces Lattice Distortion and Oxygen Vacancies of Layered Double Hydroxides Synergistically and Efficiently Drives Photocatalytic CO 2 Reduction

Zhou, R., Cui, H., Zhao, Y., Li, M., Li, K., Qu, X., Ge, K., Xu, C., Liu, B., & Yang, Y. (2026) · ACS Sustainable Chemistry & Engineering · doi:10.1021/acssuschemeng.6c01226 · Cited by 2

Semiartificial CO 2 Fixation Using Metal-Dependent Formate Dehydrogenase

Liu, Y., Low, B. Q. L., Robinson, W. E., Manuel, R. R., Oliveira, A. R., Pereira, I. A. C., & Reisner, E. (2026) · Chemical Reviews · doi:10.1021/acs.chemrev.6c00095 · Cited by 3

Surface Aspects of Semiconductor Photochemistry

Dozzi, M. V., & Selli, E. (2020) · Surfaces · doi:10.3390/surfaces3030033 · Cited by 2

Current advances, challenges, and prospects of CO2 capture, storage, and utilization

Jafary, T., Yeneneh, A. M., Adewole, J. K., Kharousi, A. A., Kumar, T., Raj, D., Kumar, A., Tripathi, P., Sinha, A. S. K., & Dwivedi, D. (2022) · Elsevier eBooks · doi:10.1016/b978-0-323-90540-4.00015-6 · Cited by 2

Covalently Grafting Graphene onto Si Photocathode to Expedite Aqueous Photoelectrochemical CO2 Reduction

Wei, Z., Su, Y., Pan, W., Shen, J., Fan, R., Yang, W., Deng, Z., Shen, M., & Peng, Y. (2023) · Angewandte Chemie · doi:10.1002/ange.202305558 · Cited by 2

Improved reweighting protocols for variationally enhanced sampling simulations with multiple walkers

Stevensson, B., & Edén, M. (2023) · Physical Chemistry Chemical Physics · doi:10.1039/d2cp04009c · Cited by 2

Theoretical Foundations of Photocatalysis

Belousov, A. S. (2023) · Green chemistry and sustainable technology · doi:10.1007/978-3-031-46764-6_3 · Cited by 2

Oxygen functionalized diamond nanocone arrays coupling cobalt phthalocyanine for enhanced electrochemical CO2 reduction

Bu, S., Liu, B., Zhu, A., Luan, C., Liu, K., Gao, Q., Kong, X., Hong, G., & Zhang, W. (2024) · Materials Today Energy · doi:10.1016/j.mtener.2024.101634 · Cited by 2

Amine-functionalized polymer membrane for the electrochemical reduction of CO 2 to hydrocarbons

Kumar, A., Aeshala, L. M., & Palai, T. (2024) · Sustainable Energy & Fuels · doi:10.1039/d4se00896k · Cited by 2

Extrinsically energized chemistry in electrocatalysis

Huang, Y., Xie, J., Hou, Y., & Wang, Y. (2024) · Nano Energy · doi:10.1016/j.nanoen.2024.110409 · Cited by 2

TM and P dual sites on polymeric carbon nitride enable highly selective CO reduction to C2 products with low potentials: A theoretical perspective

Ji, S., & Lin, W. (2024) · The Journal of Chemical Physics · doi:10.1063/5.0234932 · Cited by 2

Correlating Local Morphology and Charge Dynamics via Kelvin Probe Force Microscopy to Explain Photoelectrode Performance

Pourmahdavi, M., Schieda, M., Raudsepp, R., Fengler, S., Kollmann, J., Pieper, Y., Dittrich, T., Klassen, T., & Toma, F. M. (2025) · PRX Energy · doi:10.1103/prxenergy.4.023010 · Cited by 2

Real-space Hubbard-corrected density functional theory

Bhowmik, S., Medford, A. J., & Suryanarayana, P. (2025) · The Journal of Chemical Physics · doi:10.1063/5.0293995 · Cited by 2

Cathodes for Electrochemical Carbon Dioxide Reduction to Multi-Carbon Products: Part I

Macpherson, H., Hodges, T., Chuma, M. H., Sherwin, C., Podbevšek, U., Rigg, K. M., Celorrio, V., Russell, A. E., & Corbos, E. C. (2022) · Johnson Matthey Technology Review · doi:10.1595/205651323x16672291226135 · Cited by 2

CO 2 Photo/Electro‐Conversion Mechanism

Guo, Y., Zhong, S., & Huang, J. (2023) · Wiley eBooks · doi:10.1002/9783527841806.ch2 · Cited by 2

Our Role in Solving Global Challenges: An Opinion

Carter, E. A. (2024) · Journal of the American Chemical Society · doi:10.1021/jacs.4c07374 · Cited by 2

Metal-organic framework-derived indium nanotubes for CO2 electroreduction to formate

Hu, J., Zhang, J., Tan, Z., Wang, S., Yang, Y., Zhao, Y., Su, Z., Wang, Y., & Tai, J. (2023) · Microporous and Mesoporous Materials · doi:10.1016/j.micromeso.2023.112781 · Cited by 1

Theoretical study of transition metal subphthalocyanine molecules (TM@C24H12N6) as highly active electrocatalysts for the nitrogen reduction to ammonia

Wu, D., Sun, S., & Ye, X. (2024) · Chemical Physics Letters · doi:10.1016/j.cplett.2024.141284 · Cited by 1

Ligand enhanced mode selective photocatalytic CO 2 reduction by quantum dots

Naz, B., Mubeen, M., Mukhtar, M., Khalid, M. A., Huma, Z. E., Waseem, S., Rashid, Z., & Iqbal, A. (2024) · Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences · doi:10.1098/rspa.2024.0714 · Cited by 1

Understanding of the Carbon Chain Growth in Electroreduction of Carbon Dioxide to Produce C 3+ Molecules

Liu, B., Ran, C., Hao, F., & Ren, D. (2025) · ChemSusChem · doi:10.1002/cssc.202501370 · Cited by 1

Mechanistic Study of CO 2 −Ethylene Coupling to Form Acrylic Acid on N 3 M–MN 3 Dimer Anchored onto Defective Graphene

Masood, Z., & Wang, B. (2025) · ChemSusChem · doi:10.1002/cssc.202501359 · Cited by 1

Ni3Al1‐LDH@ZIF‐8 Performance Study of Electrocatalytic Reduction of CO2 to CO

Li, J., Wang, J., & Liu, T. (2025) · ChemistrySelect · doi:10.1002/slct.202503362 · Cited by 1

Rational Design of a Graphene Oxide/TiO 2 /Au Nanocomposite for the Electrochemical Detection of Acetaminophen: Mechanism and Synergistic Effect

Qian, L., Ramirez, C. A., Prins, S., Pakravan, F., Shi, T., van der Zalm, J. M., & Chen, A. (2025) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.5c06606 · Cited by 1

Rational design of metal-single-atom decorated CaTaO 2 N as multifunctional photocatalysts for water splitting and CO 2 reduction

Yue, A., Zhang, H., Yue, L. I. U., & Zhou, X. (2026) · Physical Chemistry Chemical Physics · doi:10.1039/d5cp05040e · Cited by 1

Photocatalytic CO2 reduction over MXene/TiO2 under visible light: process conditions and stability aspects

Alekseev, R. F., Kurenkova, A. Y., Vasilchenko, D., Saraev, А. А., Aydakov, E. E., Gerasimov, E. Y., & Kozlova, E. A. (2026) · Mendeleev Communications · doi:10.71267/mencom.7899 · Cited by 1

A practical computational protocol for photocatalytic reactions beyond ground-state approximations

Wlazło, M., Goddard, W. A., & Osella, S. (2026) · Chemical Communications · doi:10.1039/d5cc06211j · Cited by 1

Polyoxometalate@copper catalyst for electrocatalytic coupling of halo-(hetero)aromatic hydrocarbons and carbon dioxide for synthesis of (hetero)aromatic acid

Wang, T.-T., Zhao, C.-C., Liu, B., Ru, S., Jiang, S., Zhu, S., Wang, W.-Y., Zhang, M., Deng, Y.-K., Yu, Y., et al. (2026) · Polyoxometalates · doi:10.26599/pom.2026.9140126 · Cited by 1

Mechanistic study on the roles of heteroatoms in Ni-based dual-atom catalysts for electrochemical CO2 reduction

Park, G. J., & Norinaga, K. (2026) · Carbon Resources Conversion · doi:10.1016/j.crcon.2026.100446 · Cited by 1

Research progress on photoelectrochemical conversion of carbon dioxide

刘艳娟, Liao, J., Ouyang, S., Wang, Y., Jiang, S. P., & Lyu, Y. (2026) · Materials Today Sustainability · doi:10.1016/j.mtsust.2026.101378 · Cited by 1

Flow-Cell-Compatible Operando Surface-Enhanced Raman Spectroscopy for Probing Reaction Intermediates during Carbon Dioxide Reduction Reaction

Shen, Y., Hsu, Y.-H., Chang, Y., Liu, Y., Peng, K., Hu, C.-W., Lu, Y.-R., Hsu, S., & Hung, S. (2026) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.6c00902 · Cited by 1

A Flexible and Generalized Constant-Potential Framework in i-PI

Zhang, C. T., Zhao, R., He, Z., Iannuzzi, M., Chen, Y., & Lan, J. (2026) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.6c00504 · Cited by 1

Engineering strategies toward scalable CO2-to-liquid-fuel photoelectrolysis

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