Precise control and in-depth understanding of the interfaces is crucial for the functionality-oriented material design with desired properties. Herein, via modifying the long-standing bicrystal strategy, we proposed a novel nanowelding approach to build up interfaces between two-dimensional (2D) materials with atomic precision. This method enabled us, for the first time, to experimentally achieve the quasi-fullparameter-space grain boundaries (GBs) in 2D hexagonal boron nitride (h-BN). It further helps us unravel the long-term controversy and confusion on the registry of GBs in h-BN, including i) discriminate the relative contribution of the strain and chemical energy on the registry of GBs; ii) identify a new dislocation core-Frank partial dislocation and four new anti-phase boundaries; and iii) confirm the universal GB faceting. Our work provides a new paradigm to the exploiting of structural-property correlation of interfaces in 2D materials.Grain boundaries (GBs), an inevitable structural imperfection in polycrystalline two-dimensional (2D) materials, behave as one-dimensional line defects that connect differently oriented grains of the same material 1,2 . Extensive studies have confirmed that the inherent structures of GBs (e.g., misorientation theoretical predictions, we could derive following rules for GB configurations from our experimental results: i) for |θ|<~38°, both sym-and anti-sym GBs are formed only by 5|7s; ii) for ~38°<|θ|<47°, GBs are comprised of 5|7s and a new type of dislocation core-Frank partial dislocations (5|84|7s or 5|84|...|84|7s) as shown in Figure 4c, d, which was not reported previously. Note that θ>38° sym-GBs can also consist of only 5|7s, as exampled by the GB-(41,5) in Figure S9; iii) for ~47°<|θ|<60°, anti-sym GBs only consists of Frank partial dislocations, while sym-GBs and asym-GBs contain both 5|7s and Frank partial dislocations; and iv) no 4|8 dislocation core was observed (served as ⃑ (1,1) dislocations).
Table of contentsSection 1| Out-of-plane warping in the junction between the top and bottom layers 1.1 Out-of-plane warping in the junction with the same orientation (θ=0°) ( Figure S1) 1.2 Out-of-plane warping in the tilted GBs obtained by our experiments (Figure S2) Section 2| Out-of-plane warping in regular planar GBs Section 3| Fabrication of h-BN/graphene hetero-junction (Figure S3) Section 4| Structural evolution of the in situ created holes in 2D h-BN under electron beam irradiation and sample heating (Figure S4 to Figure S5) Section 5| Imaging process (Figure S6) Section 6| Dislocations and line defects in 2D h-BN (Figure S7) Section 7| Details for the full-space GBs (Figure S8 to Figure S11) Section 8| The detailed structure of GBs with 66-BBs (Figure S12) Section 9| The GB energy in 2D h-BN (Figure S13) Section 10| More details about GB faceting 10.1 General description of GB faceting and the associated statistics (Figure S14, 15) 10.2 More details about GB faceting in |θ|<38° GBs (Figure S16 to Figure S18) 10.3 More details about GB faceting in |θ|>38° GBs (F...