The DOI matches its Crossref record; 63 of the 63 references it cites were found in a registry or an index.
Insights into the Influence of CeO2Crystal Facet on CO2Hydrogenation to Methanol over Pd/CeO2Catalysts
Abstract
CeO 2 is an excellent potential material for CO 2 hydrogenation attributed to the highly tunable properties including metal–support interaction and abundant oxygen vacancy. In this work, four CeO 2 supports with structurally well-defined different shapes and crystal facets are hydrothermally prepared, and their effects on the composition of Pd species and oxygen vacancy over Pd/CeO 2 catalysts have been intensively investigated in the reduction of CO 2 to methanol. The 2Pd/CeO 2 -R (rods) shows the highest concentration and number of oxygen vacancies, where the (110) facet with high surface oxygen mobility and low oxygen vacancy formation energy is exposed over the CeO 2 -R surface. The oxygen mobility at the interface of (111) and (100) facets mainly observed on 2Pd/CeO 2 -P (polyhedrons) is higher than the single (111) and (100) facets mainly observed on 2Pd/CeO 2 -O (octahedrons) and 2Pd/CeO 2 -C (cubs), respectively. The presence of Pd highly promotes the formation of oxygen vacancies by providing dissociated H atoms to facilitate the removal of surface O in ceria support under a H 2 atmosphere. Both the Pd x Ce 1– x O δ solid solution dominated on CeO 2 -R and the PdO species dominated on CeO 2 -O are reduced to metallic Pd after reduction with 6–10 nm average particle size. As revealed by density functional theory (DFT) calculations, in contrast to the single Pd 0 atom on CeO 2 and the thermodynamically most unstable Pd x Ce 1− x O δ solid solution, the Pd 0 nanoparticles are the most stable species under the realistic reaction conditions. The 2Pd/CeO 2 -R shows the highest catalytic activity as the abundantly available oxygen vacancies function as CO 2 adsorption and activation sites. Moreover, oxygen vacancy reactivity is correlated with its formation energy. The lower formation energy facilitates the formation of oxygen vacancy; however, the reactivity of each oxygen vacancy is lower as the TOF oxygen vacancy of 2Pd/CeO 2 -O is 15 times as that of 2Pd/CeO 2 -R. Thus, a suitable oxygen vacancy formation energy is likely favorable for enhancing CO 2 reactivity. DFT calculations indicate that the CH 3 OH formation is most probably from the formate (HCOO*) pathway via the C–O bond cleavage in H 2 COOH*, with the reduction of HCOO* to HCOOH* as the rate-limiting step. These results would provide experimental and theoretical insights into the rational design of an effective catalyst for CO 2 hydrogenation.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
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
Kresse, G., & Furthmüller, J. (1996) · Computational Materials Science · doi:10.1016/0927-0256(96)00008-0 · Cited by 75,638
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
Henkelman, G., Uberuaga, B. P., & Jónsson, H. (2000) · The Journal of Chemical Physics · doi:10.1063/1.1329672 · Cited by 21,620
Henkelman, G., & Jónsson, H. (2000) · The Journal of Chemical Physics · doi:10.1063/1.1323224 · Cited by 9,523
Recent advances in catalytic hydrogenation of carbon dioxide
Wang, W., Wang, S., Ma, X., & Gong, J. (2011) · Chemical Society Reviews · doi:10.1039/c1cs15008a · Cited by 3,316
Self-citationActive sites for CO 2 hydrogenation to methanol on Cu/ZnO catalysts
Kattel, S., Ramírez, P. J., Chen, J. G., Rodriguez, J. A., & Liu, P. (2017) · Science · doi:10.1126/science.aal3573 · Cited by 1,824
Song, C. (2006) · Catalysis Today · doi:10.1016/j.cattod.2006.02.029 · Cited by 1,809
Mai, H.-X., Sun, L.-D., Zhang, Y.-W., Si, R., Feng, W., Zhang, H.-P., Liu, H.-C., & Yan, C.-H. (2005) · The Journal of Physical Chemistry B · doi:10.1021/jp055584b · Cited by 1,625
Metadata
- Authors
- Jiang, F., Wang, S., Liu, B., Liu, J., Wang, L., Xiao, Y., Xu, Y., & Liu, X.
- Venue
- ACS Catalysis
- Publisher
- American Chemical Society (ACS)
- Published
- 2020-09-10
- Volume
- 10
- Issue
- 19
- Pages
- 11493-11509
- ISSN
- 2155-5435 (ISSN-L)
- OpenAlex
- W3085777149
- Cited by
- 892
- References
- 63
- FWCI
- 16.72
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Insights into the Influence of CeO2Crystal Facet on CO2Hydrogenation to Methanol over Pd/CeO2Catalysts. https://app.cochat.ai/papers/10.1021/acscatal.0c03324
- The paper
- Jiang, F., Wang, S., Liu, B., Liu, J., Wang, L., Xiao, Y., Xu, Y., & Liu, X. (2020). Insights into the Influence of CeO2Crystal Facet on CO2Hydrogenation to Methanol over Pd/CeO2Catalysts. ACS Catalysis. https://doi.org/10.1021/acscatal.0c03324
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
