Our theoretical calculations suggest that the synergistic effect between the electron acceptor (B) and donor (Cl) in carbon nanotubes (CNTs) (BClCNTs) is the key to excellent oxygen reduction reaction (ORR) activity. However, the rational fabrication of BClCNTs is still an open question. Here, we first present a metal-free and controlled strategy for successful preparation of BClCNTs via chemically tailoring two-dimensional (2D) boron carbide (B₄C) with Cl₂. Accompanied by partial extraction of B atoms from B₄C with Cl₂, the residue B and C atoms combining with Cl atoms self-organize into nanotube microstructures. Significantly, the amount of heteroatoms (B and Cl) can be tuned in terms of altering chlorine-to-carbide molar ratios. As expected, as a metal-free ORR catalyst, the produced BClCNTs exhibit a higher onset potential (0.94 V vs a reversible hydrogen electrode; RHE) and half-wave potential (0.84 V) as well as greater stability than those of commercial Pt/C (0.92 and 0.80 V).

中文翻译：

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通过二维将二维碳化硼转变为硼和氯双掺杂碳纳米管，以有效地减少氧气

我们的理论计算表明，碳纳米管（BClCNT）中电子受体（B）和施主（Cl）之间的协同作用是出色的氧还原反应（ORR）活性的关键。然而，合理制备BClCNTs仍然是一个悬而未决的问题。在这里，我们首先介绍一种无金属且可控的策略，该方法可通过化学修饰含Cl ₂的二维（2D）碳化硼（B ₄ C）来成功制备BClCNT 。伴随用Cl ₂从B ₄ C中部分萃取B原子，残基中的B和C原子与Cl原子结合，自组织成纳米管微观结构。显着地，杂原子（B和Cl）的量可以根据改变氯与碳化物的摩尔比来调节。不出所料，作为一种无金属的ORR催化剂，所生产的BClCNTs的起爆电势（相对于可逆氢电极； RHE为0.94 V）和半波电势（0.84 V）以及比市售Pt / C更高的稳定性。 C（0.92和0.80 V）。