关注：

1)   写review report是，对文章可谓是精度，要查阅相关的参考文献，感觉比自己写文章还要仔细；

2）写review report 时，首先是大体映像，文章新意如何；剩下的就是挑刺过程；

3）通过写review report，对自己今后应该如何写文章，也是一个启发：不能有大的原则性错误，细节指出也不能马虎。

Review report: “Square Planar Carbon-Also in Solids”

The authors investigatedthe chemical bonding and the origin of the stability of square planar carbon insurface carbides which were observed during the surface reconstructions of Coand Ni after C deposition. Two model systems were used: the top monolayer on Ni(100) and the small clusters (Ni₄C⁺and Ni₁₂C₄²⁺)embedded in the lattice charges. Electronic structures and stabilities ofsquare planar C on Ni (100) and Co (100) were computed using density-functionaltheory (DFT) implemented in VASP program. Cluster calculations were done withGaussian 09. Natural Bond Order, Molecular diagrams and Bloch states were usedfor chemical bonding analysis. They found that the reconstruction of the (100)surface leading to the formation of square planar C in the p4g sites of Ni and Co surfaces. The formationof the square planar C in these systems and their exceptional stability are dueto σ-aromaticity.

The paper has a story ofthe chemical bonding and the stability of square planar carbon on Ni and Cosurfaces. The results and ways of think are useful to further understand theinterplay of carbon and transition metal surfaces. However, there are someissues that need to be clarified:

(1) The authors usedsmall clusters (Ni₄C⁺and Ni₁₂C₄²⁺)embedded in the lattice charges to study the chemical bonding in the infinitecarbide surface, since the electron density in the top monolayer localizes largelyon the C atoms. However, square planar carbon is an old and interesting story.There are many contributions on square planar carbon cluster. It would be goodto mention the chemical bonding differences of clusters used here and in otherpaper.

(2) “The occupied threelowest energy states are completely bonding and delocalized, i.e , cannot belocalized as classical 2-c-2e bonds.”  Itis not clear to see how the states are delocalized in the paper.

(3) “It was found thatonly M₄C⁺(quartets) and M₁₂C₄²⁺(sextets) had the charge distributions in a close agreement with those presentin the grid”. However, the charge present in the grid is not explicit in the paper.

(4) “We considered smallclusters from the reconstructed (100) surface, embedded in the sea of chargesprovided by the top two monolayers within 10 Å from the embedded cluster”.  What the distance of 10 Å refers to is notclear.

(5) Some notes may beneeded for the inset pictures in Figure 1. Readersmaybe alsoin trouble with the meanings of some signs in the paper, such as “p4g”, “B5” and ” 2-c-2e”.

导师修改后的reivew:

The p4g clockreconstruction of C on Ni(100) is a fascinating example of a largereconstruction of a metal surface. Indeed, it is interesting to connect this up to the industry that has arisen of trying to stabilize square planar carbon. Regrettably, the attempt in this paper is flawed 【缺点, 裂纹, 瑕疵, 一阵狂风】, and I cannot recommend publication. Here are the problems I see:

1. The authors ignore the large and easily located literature (just put the name of thereconstruction into Google) of the physics surface science community on justthis reconstruction. Leading references are the Woodruff article in Vol. 7 ofThe Chemical Physics of Solids and Surfaces, edited by King and Woodruff ,  M. Rocca et al, Phys. Rev. B. 35, 9510(1987), Clink et al, Phys Rev. Lett. 71, 4350 (1993), CQ Sun Surface Review andLetters, 6, 109 (1999). References to these old papers should be traced forwardwith The Web of Science.

2. Sigma aromaticity isjust a peg【钉, 栓, 桩, 销子, 借口】 to hang on【坚持, 不挂断, 靠着, 渴望, 有赖于】 a claim to stability. There is no evidence that so-called sigma aromaticity has any correlation with kinetic persistence or thermodynamic stability (except in comparisons with similar small clusters where it is invoked). There is a lot of reaching 【遥不可及的, 无法达到的】for unusual bonding in the discussion in this paper.

3. There is an extended structure with a square-planar carbon surrounded by 4 Ni atoms; Musanke andJeitschko, Z. Naturf. 46b, 1177 (1991). The Hoffmann group subsequently published an analysis of the electronic structure of the systems, using Ni4Cclusters, Z. Naturfor. 56b,322-332 (1998).

4. “It was found thatonly M₄C⁺(quartets) and M₁₂C₄²⁺(sextets) had the charge distributions in a close agreement with those presentin the grid”. However, the charge distributions in the grid are not given. “Weconsidered small clusters from the reconstructed (100) surface, embedded in thesea of charges provided by the top two monolayers within 10 Å from the embeddedcluster”.  What the distance of 10 Årefers to is not clear.